4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine

C13H19ClN2 — CID 83167830

IUPAC4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine
SMILESCCC1CCC(Nc2cnccc2Cl)CC1
InChIInChI=1S/C13H19ClN2/c1-2-10-3-5-11(6-4-10)16-13-9-15-8-7-12(13)14/h7-11,16H,2-6H2,1H3
InChIKeyRXQJONGUPDTTSS-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine

4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine (PubChem CID 83167830) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine
PubChem CID83167830
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine
SMILESCCC1CCC(Nc2cnccc2Cl)CC1
InChIInChI=1S/C13H19ClN2/c1-2-10-3-5-11(6-4-10)16-13-9-15-8-7-12(13)14/h7-11,16H,2-6H2,1H3
InChIKeyRXQJONGUPDTTSS-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine?
The IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine (CID 83167830) is 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine?
The canonical SMILES for 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine is CCC1CCC(Nc2cnccc2Cl)CC1.
What is the InChIKey of 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine?
The InChIKey is RXQJONGUPDTTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-10-3-5-11(6-4-10)16-13-9-15-8-7-12(13)14/h7-11,16H,2-6H2,1H3.
What are the key properties of 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine?
4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylcyclohexyl)pyridin-3-amine is sourced from PubChem (CID 83167830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).