3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine

C13H21N3 — CID 104540565

IUPAC3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine
SMILESCC1(C)CCCCC1Nc1cccnc1N
InChIInChI=1S/C13H21N3/c1-13(2)8-4-3-7-11(13)16-10-6-5-9-15-12(10)14/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H2,14,15)
InChIKeyLBBKFTWMEPPKCC-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds2

About 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine

3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine (PubChem CID 104540565) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine
PubChem CID104540565
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine
SMILESCC1(C)CCCCC1Nc1cccnc1N
InChIInChI=1S/C13H21N3/c1-13(2)8-4-3-7-11(13)16-10-6-5-9-15-12(10)14/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H2,14,15)
InChIKeyLBBKFTWMEPPKCC-UHFFFAOYSA-N
XLogP3.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzylamino)pyridine
CID 23362
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
CID 686648
3-Pyridyl pinacidil
CID 43347
4-Methylpyridine-2,3-diamine
CID 317495
2-N-phenylpyridine-2,3-diamine
CID 10679091
N1-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)pyridin-3-Yl)-N1,N2-Dimethylethane-1,2-Diamine
CID 91808031
N~3~-Benzylpyridine-2,3-diamine
CID 10397869

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine (CID 104540565) is 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine is CC1(C)CCCCC1Nc1cccnc1N.
What is the InChIKey of 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine?
The InChIKey is LBBKFTWMEPPKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2)8-4-3-7-11(13)16-10-6-5-9-15-12(10)14/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine?
3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-dimethylcyclohexyl)pyridine-2,3-diamine is sourced from PubChem (CID 104540565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).