1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine

C14H21ClN2 — CID 79260980

IUPAC1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CNC2(CCl)CCCCC2)n1
InChIInChI=1S/C14H21ClN2/c1-12-6-5-7-13(17-12)10-16-14(11-15)8-3-2-4-9-14/h5-7,16H,2-4,8-11H2,1H3
InChIKeyHVPZLOBFRJWIFD-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.42
Rot. Bonds4

About 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine

1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine (PubChem CID 79260980) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
PubChem CID79260980
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CNC2(CCl)CCCCC2)n1
InChIInChI=1S/C14H21ClN2/c1-12-6-5-7-13(17-12)10-16-14(11-15)8-3-2-4-9-14/h5-7,16H,2-4,8-11H2,1H3
InChIKeyHVPZLOBFRJWIFD-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(6-methyl-2-pyridinyl)methylamino]cyclopentyl]methanol
CID 79268223
1-(chloromethyl)-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 65024881
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 114757629
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
1-(chloromethyl)-N-(pyrimidin-2-ylmethyl)cyclopentan-1-amine
CID 65026218
1-[(6-methyl-2-pyridinyl)methyl]cyclopropan-1-amine
CID 130515545
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
CID 103969220
1-chloro-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79261330
1-(chloromethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-amine
CID 106869831
4-(chloromethyl)-N-(quinolin-2-ylmethyl)oxan-4-amine
CID 106299799
1-[(6-methyl-2-pyridinyl)methoxymethyl]cyclopentan-1-amine
CID 79260688
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62307208

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine (CID 79260980) is 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine is Cc1cccc(CNC2(CCl)CCCCC2)n1.
What is the InChIKey of 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The InChIKey is HVPZLOBFRJWIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-12-6-5-7-13(17-12)10-16-14(11-15)8-3-2-4-9-14/h5-7,16H,2-4,8-11H2,1H3.
What are the key properties of 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79260980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).