5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine

C15H23ClN2 — CID 81234834

IUPAC5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine
SMILESCc1cc(N(C)C2CCC(C)CC2)c(CCl)cn1
InChIInChI=1S/C15H23ClN2/c1-11-4-6-14(7-5-11)18(3)15-8-12(2)17-10-13(15)9-16/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyGFDMMAXOGGPBMQ-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.14
Rot. Bonds3

About 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine

5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine (PubChem CID 81234834) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine
PubChem CID81234834
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine
SMILESCc1cc(N(C)C2CCC(C)CC2)c(CCl)cn1
InChIInChI=1S/C15H23ClN2/c1-11-4-6-14(7-5-11)18(3)15-8-12(2)17-10-13(15)9-16/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyGFDMMAXOGGPBMQ-UHFFFAOYSA-N
XLogP4.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine?
The IUPAC name of 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine (CID 81234834) is 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine?
The canonical SMILES for 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine is Cc1cc(N(C)C2CCC(C)CC2)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine?
The InChIKey is GFDMMAXOGGPBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-4-6-14(7-5-11)18(3)15-8-12(2)17-10-13(15)9-16/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine?
5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine has a molecular weight of 266.82 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine is sourced from PubChem (CID 81234834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).