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N-cyclopentyl-7-methyl-2-propan-2-ylimidazo[3,2-a]pyridin-3-amine,Can

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摘 要: N-cyclopentyl-7-methyl-2-propan-2-ylimidazo[3,2-a]pyridin-3-amine,Canonical SMILES: CC1=CC2=NC(=C(N2C=C1)NC3CCCC3)C(C)C,InChI: InChI=1/C16H23N3/c1-11(2)15-16(17-13-6-4-5-7-13)19-9-8-12(3)10-14(19)18-,15/h8-11,13,17H,4-7H2,1-3H3,Molecular Weight257.3
[Synonyms]

[Structure]
 N-cyclopentyl-7-methyl-2-propan-2-ylimidazo[3,2-a]pyridin-3-amine,Can

[ Properties Computed from Structure]
Molecular Weight257.37392 [g/mol]
Molecular FormulaC16H23N3
XLogP1.5
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Exact Mass257.189198
MonoIsotopic Mass257.189198
Topological Polar Surface Area29.3
Heavy Atom Count19
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-cyclopentyl-7-methyl-2-propan-2-ylimidazo[3,2-a]pyridin-3-amine
Canonical SMILES: CC1=CC2=NC(=C(N2C=C1)NC3CCCC3)C(C)C
InChI: InChI=1/C16H23N3/c1-11(2)15-16(17-13-6-4-5-7-13)19-9-8-12(3)10-14(19)18-
15/h8-11,13,17H,4-7H2,1-3H3

 
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