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N-methoxy-1-(1-propan-2-yl-5,6-dihydro-2H-pyridin-3-yl)methanimine,hy

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摘 要: N-methoxy-1-(1-propan-2-yl-5,6-dihydro-2H-pyridin-3-yl)methanimine,hydrochloride,Canonical SMILES: CC(C)N1CCC=C(C1)C=NOC.Cl,InChI: InChI=1/C10H18N2O.ClH/c1-9(2)12-6-4-5-10(8-12)7-11-13-3;/h5,7,9H,4,6,,8H2,1-3H3;1H,Molecular Weight218.72366 [g/mol]Mo
[Synonyms]

[Structure]
 N-methoxy-1-(1-propan-2-yl-5,6-dihydro-2H-pyridin-3-yl)methanimine,hy

[ Properties Computed from Structure]
Molecular Weight218.72366 [g/mol]
Molecular FormulaC10H19ClN2O
XLogP2.43
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Exact Mass218.118591
MonoIsotopic Mass218.118591
Topological Polar Surface Area24.8
Heavy Atom Count14
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: N-methoxy-1-(1-propan-2-yl-5,6-dihydro-2H-pyridin-3-yl)methanimine
hydrochloride
Canonical SMILES: CC(C)N1CCC=C(C1)C=NOC.Cl
InChI: InChI=1/C10H18N2O.ClH/c1-9(2)12-6-4-5-10(8-12)7-11-13-3;/h5,7,9H,4,6,
8H2,1-3H3;1H

 
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