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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Related Compounds

3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114287626
3-chloro-N-[(4-chlorocyclohexyl)methyl]pyridin-4-amine
CID 106125656
N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 79841594
3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine
CID 104777079
3-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 79769796
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 79841586
1-N-(3-chloro-4-pyridinyl)-2-methylpropane-1,2-diamine
CID 115303812
3-chloro-N-(2-methylsulfinylethyl)pyridin-4-amine
CID 115680988
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine
CID 114046232
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031
4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
CID 133471325

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).