(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride

C12H18Cl2N2 — CID 171218361

IUPAC(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccncc1Cl)C1CCCCC1
InChIInChI=1S/C12H17ClN2.ClH/c13-11-8-15-7-6-10(11)12(14)9-4-2-1-3-5-9;/h6-9,12H,1-5,14H2;1H/t12-;/m0./s1
InChIKeyNCNDKYAYZAWLFU-YDALLXLXSA-N
MW261.20 g/mol
LogP3.74
Rot. Bonds2

About (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride

(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride (PubChem CID 171218361) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
PubChem CID171218361
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccncc1Cl)C1CCCCC1
InChIInChI=1S/C12H17ClN2.ClH/c13-11-8-15-7-6-10(11)12(14)9-4-2-1-3-5-9;/h6-9,12H,1-5,14H2;1H/t12-;/m0./s1
InChIKeyNCNDKYAYZAWLFU-YDALLXLXSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3-chloro-4-pyridinyl)-cyclobutylmethanamine
CID 130633063
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
(3-chloro-4-pyridinyl)-(oxolan-3-yl)methanamine
CID 105147557
(3-chloro-4-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105166254
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine
CID 131290746
1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171273012
(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 131637722

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride?
The IUPAC name of (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride (CID 171218361) is (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride is Cl.N[C@H](c1ccncc1Cl)C1CCCCC1.
What is the InChIKey of (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride?
The InChIKey is NCNDKYAYZAWLFU-YDALLXLXSA-N. The full InChI is InChI=1S/C12H17ClN2.ClH/c13-11-8-15-7-6-10(11)12(14)9-4-2-1-3-5-9;/h6-9,12H,1-5,14H2;1H/t12-;/m0./s1.
What are the key properties of (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride?
(S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride has a molecular weight of 261.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-4-pyridinyl)-cyclohexylmethanamine;hydrochloride is sourced from PubChem (CID 171218361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).