3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine

C14H22ClN3 — CID 114046232

IUPAC3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine
SMILESCC1CCC(CCNc2ncc(N)cc2Cl)CC1
InChIInChI=1S/C14H22ClN3/c1-10-2-4-11(5-3-10)6-7-17-14-13(15)8-12(16)9-18-14/h8-11H,2-7,16H2,1H3,(H,17,18)
InChIKeyDURZESYKLNDIEQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.95
Rot. Bonds4

About 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine

3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine (PubChem CID 114046232) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine
PubChem CID114046232
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine
SMILESCC1CCC(CCNc2ncc(N)cc2Cl)CC1
InChIInChI=1S/C14H22ClN3/c1-10-2-4-11(5-3-10)6-7-17-14-13(15)8-12(16)9-18-14/h8-11H,2-7,16H2,1H3,(H,17,18)
InChIKeyDURZESYKLNDIEQ-UHFFFAOYSA-N
XLogP3.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 114049775
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80822321
3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
CID 55176213
2-chloro-5-fluoro-N-[2-(4-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 79076200
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
3-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 114046183
2,6-dichloro-1-N-(2-cyclobutylethyl)benzene-1,4-diamine
CID 106890784
4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine
CID 106750865
6-hydrazinyl-5-methyl-N-[2-(4-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 80913396
2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine
CID 106890457
3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
CID 79840811

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine (CID 114046232) is 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine is CC1CCC(CCNc2ncc(N)cc2Cl)CC1.
What is the InChIKey of 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine?
The InChIKey is DURZESYKLNDIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-10-2-4-11(5-3-10)6-7-17-14-13(15)8-12(16)9-18-14/h8-11H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine?
3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine has a molecular weight of 267.80 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[2-(4-methylcyclohexyl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 114046232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).