4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile

C15H21N3 — CID 79111258

IUPAC4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile
SMILESCNC1CCC(N(C)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H21N3/c1-17-13-5-9-15(10-6-13)18(2)14-7-3-12(11-16)4-8-14/h3-4,7-8,13,15,17H,5-6,9-10H2,1-2H3
InChIKeyFNPBWRYKTXCDRG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.53
Rot. Bonds3

About 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile

4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile (PubChem CID 79111258) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile
PubChem CID79111258
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile
SMILESCNC1CCC(N(C)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H21N3/c1-17-13-5-9-15(10-6-13)18(2)14-7-3-12(11-16)4-8-14/h3-4,7-8,13,15,17H,5-6,9-10H2,1-2H3
InChIKeyFNPBWRYKTXCDRG-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]benzonitrile
CID 79122853
4-[methyl-(1-methylpyrrolidin-3-yl)amino]benzonitrile
CID 146510734
4-[cyclopropyl(methyl)amino]-3-methylbenzonitrile
CID 60928920
4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 62983263
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
4-[(2-cyanocyclopentyl)-methylamino]benzonitrile
CID 55140211
1-(4-cyanophenyl)-3-cyclohexyl-1-methylurea
CID 62981204
1-N,4-N-dimethyl-4-N-(3-methyl-4-nitrophenyl)cyclohexane-1,4-diamine
CID 79110649
2-[[(4-cyanophenyl)-methylcarbamoyl]-cyclopropylamino]acetic acid
CID 62982894
2-methyl-4-[methyl-[4-(methylamino)cyclohexyl]amino]benzamide
CID 81279279
6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
CID 60706429
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile?
The IUPAC name of 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile (CID 79111258) is 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile.
What is the SMILES notation for 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile?
The canonical SMILES for 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile is CNC1CCC(N(C)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile?
The InChIKey is FNPBWRYKTXCDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17-13-5-9-15(10-6-13)18(2)14-7-3-12(11-16)4-8-14/h3-4,7-8,13,15,17H,5-6,9-10H2,1-2H3.
What are the key properties of 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile?
4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[4-(methylamino)cyclohexyl]amino]benzonitrile is sourced from PubChem (CID 79111258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).