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

C14H23N3 — CID 104540431

IUPAC3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine
SMILESCC1CCCC(CCNc2cccnc2N)C1
InChIInChI=1S/C14H23N3/c1-11-4-2-5-12(10-11)7-9-16-13-6-3-8-17-14(13)15/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3,(H2,15,17)
InChIKeyRZBXCWTYRNNWCT-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.29
Rot. Bonds4

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

3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine (PubChem CID 104540431) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine
PubChem CID104540431
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine
SMILESCC1CCCC(CCNc2cccnc2N)C1
InChIInChI=1S/C14H23N3/c1-11-4-2-5-12(10-11)7-9-16-13-6-3-8-17-14(13)15/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3,(H2,15,17)
InChIKeyRZBXCWTYRNNWCT-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(3-methylcyclohexyl)ethyl]-2-nitrobenzene-1,3-diamine
CID 80835933
4-iodo-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,2-diamine
CID 66079741
4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
CID 133471325
3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine
CID 104777079
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80835454
4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine
CID 80822726
2,6-dichloro-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,4-diamine
CID 106890457
3-N-(2-cyclohexyloxyethyl)pyridine-2,3-diamine
CID 104540407
2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 83205945
N-[2-(3-methylcyclohexyl)ethyl]quinazolin-2-amine
CID 114789119
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
1-methyl-N-[2-(3-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-4-amine
CID 103385635

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine (CID 104540431) is 3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine is CC1CCCC(CCNc2cccnc2N)C1.
What is the InChIKey of 3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine?
The InChIKey is RZBXCWTYRNNWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-4-2-5-12(10-11)7-9-16-13-6-3-8-17-14(13)15/h3,6,8,11-12,16H,2,4-5,7,9-10H2,1H3,(H2,15,17).
What are the key properties of 3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine?
3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 104540431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).