1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile

C15H29N3 — CID 117039628

IUPAC1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(C)CCCC(C)C)CC1
InChIInChI=1S/C15H29N3/c1-13(2)6-5-11-18(4)14-7-9-15(12-16,17-3)10-8-14/h13-14,17H,5-11H2,1-4H3
InChIKeyQAXZGWUYJGJOBK-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds6

About 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile

1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile (PubChem CID 117039628) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile
PubChem CID117039628
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCC(N(C)CCCC(C)C)CC1
InChIInChI=1S/C15H29N3/c1-13(2)6-5-11-18(4)14-7-9-15(12-16,17-3)10-8-14/h13-14,17H,5-11H2,1-4H3
InChIKeyQAXZGWUYJGJOBK-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanecarbonitrile, 1-(ethylamino)-
CID 211339
Cyclohexanecarbonitrile, 1-(cyclohexylamino)-
CID 96123
4-Methyl-1-(methylamino)cyclohexanecarbonitrile
CID 2507736
N1,N1,1-trimethylcyclohexane-1,4-diamine
CID 125511609
Cyclohexanecarbonitrile, 1-[(2-cyanocyclohexyl)amino]-
CID 370368
4,4-Dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile
CID 110209328
1-(Propan-2-ylamino)-4-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64755329
N1,4-dimethylcyclohexane-1,4-diamine
CID 139019980
1-(Propan-2-ylamino)cyclohexane-1-carbonitrile
CID 21678966
3-[[4-(Trifluoromethyl)cyclohexyl]amino]pentanenitrile
CID 64755684
1-(Butan-2-ylamino)-4-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64755903
3-(1-Fluoropropan-2-ylamino)cyclohexane-1-carbonitrile
CID 130669850

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile (CID 117039628) is 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile is CNC1(C#N)CCC(N(C)CCCC(C)C)CC1.
What is the InChIKey of 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is QAXZGWUYJGJOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13(2)6-5-11-18(4)14-7-9-15(12-16,17-3)10-8-14/h13-14,17H,5-11H2,1-4H3.
What are the key properties of 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile?
1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-4-[methyl(4-methylpentyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 117039628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).