3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine

C14H21ClN2 — CID 79840811

IUPAC3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
SMILESCC1CCC(CCNc2ccncc2Cl)CC1
InChIInChI=1S/C14H21ClN2/c1-11-2-4-12(5-3-11)6-9-17-14-7-8-16-10-13(14)15/h7-8,10-12H,2-6,9H2,1H3,(H,16,17)
InChIKeyZSVWNQVQWCHVBM-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.36
Rot. Bonds4

About 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine

3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine (PubChem CID 79840811) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
PubChem CID79840811
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
SMILESCC1CCC(CCNc2ccncc2Cl)CC1
InChIInChI=1S/C14H21ClN2/c1-11-2-4-12(5-3-11)6-9-17-14-7-8-16-10-13(14)15/h7-8,10-12H,2-6,9H2,1H3,(H,16,17)
InChIKeyZSVWNQVQWCHVBM-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine (CID 79840811) is 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine is CC1CCC(CCNc2ccncc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine?
The InChIKey is ZSVWNQVQWCHVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-2-4-12(5-3-11)6-9-17-14-7-8-16-10-13(14)15/h7-8,10-12H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine?
3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 79840811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).