N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride

C13H20Cl2N2 — CID 115584748

IUPACN-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
SMILESCC1CCCC(NCc2ccc(Cl)nc2)C1.Cl
InChIInChI=1S/C13H19ClN2.ClH/c1-10-3-2-4-12(7-10)15-8-11-5-6-13(14)16-9-11;/h5-6,9-10,12,15H,2-4,7-8H2,1H3;1H
InChIKeyZRLGKRUUIAWRNC-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.83
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride

N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride (PubChem CID 115584748) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
PubChem CID115584748
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
SMILESCC1CCCC(NCc2ccc(Cl)nc2)C1.Cl
InChIInChI=1S/C13H19ClN2.ClH/c1-10-3-2-4-12(7-10)15-8-11-5-6-13(14)16-9-11;/h5-6,9-10,12,15H,2-4,7-8H2,1H3;1H
InChIKeyZRLGKRUUIAWRNC-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
CID 59828914
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317393
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine
CID 86257637
4-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43215986
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104953424
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43082013

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride (CID 115584748) is N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride is CC1CCCC(NCc2ccc(Cl)nc2)C1.Cl.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride?
The InChIKey is ZRLGKRUUIAWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2.ClH/c1-10-3-2-4-12(7-10)15-8-11-5-6-13(14)16-9-11;/h5-6,9-10,12,15H,2-4,7-8H2,1H3;1H.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride?
N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride has a molecular weight of 275.22 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 115584748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).