2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile

C15H22N4 — CID 114770148

IUPAC2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCCN(c1cc(C#N)cc(C)n1)C1CCC(N)CC1
InChIInChI=1S/C15H22N4/c1-3-19(14-6-4-13(17)5-7-14)15-9-12(10-16)8-11(2)18-15/h8-9,13-14H,3-7,17H2,1-2H3
InChIKeyQUUUYBCQMHAJIY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.36
Rot. Bonds3

About 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile

2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 114770148) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile
PubChem CID114770148
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCCN(c1cc(C#N)cc(C)n1)C1CCC(N)CC1
InChIInChI=1S/C15H22N4/c1-3-19(14-6-4-13(17)5-7-14)15-9-12(10-16)8-11(2)18-15/h8-9,13-14H,3-7,17H2,1-2H3
InChIKeyQUUUYBCQMHAJIY-UHFFFAOYSA-N
XLogP2.36
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
CID 79112273
2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766517
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770116
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770120
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 106643778
2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766447
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile
CID 114768292
4-(aminomethyl)-N-cyclohexyl-N-ethyl-6-methylpyridin-2-amine
CID 113379299
6-chloro-N-cyclopropyl-N-ethyl-2-methylpyrimidin-4-amine
CID 62482724
4-N-ethyl-4-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
CID 79112426
2-methyl-6-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 114765889

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile (CID 114770148) is 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile is CCN(c1cc(C#N)cc(C)n1)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is QUUUYBCQMHAJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-19(14-6-4-13(17)5-7-14)15-9-12(10-16)8-11(2)18-15/h8-9,13-14H,3-7,17H2,1-2H3.
What are the key properties of 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile?
2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114770148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).