5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile

C15H28N2 — CID 113489890

IUPAC5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNC1CCCCC1(C)C
InChIInChI=1S/C15H28N2/c1-14(2,9-7-11-16)12-17-13-8-5-6-10-15(13,3)4/h13,17H,5-10,12H2,1-4H3
InChIKeyNOGZTWMGCHULBA-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.87
Rot. Bonds5

About 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile

5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile (PubChem CID 113489890) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile
PubChem CID113489890
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNC1CCCCC1(C)C
InChIInChI=1S/C15H28N2/c1-14(2,9-7-11-16)12-17-13-8-5-6-10-15(13,3)4/h13,17H,5-10,12H2,1-4H3
InChIKeyNOGZTWMGCHULBA-UHFFFAOYSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarbonitrile, 1-(ethylamino)-
CID 211339
3-((3-(((2-Cyanoethyl)amino)methyl)-3,5,5-trimethylcyclohexyl)amino)propiononitrile
CID 3022992
4,4-Dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile
CID 110209328
3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile
CID 3019933
2-(4,4-Dimethylcyclohexyl)-2-(3,3,3-trifluoropropylamino)acetonitrile
CID 121275176
2-[1-Methyl-4-(2,2,2-trifluoroethylamino)cyclohexyl]acetonitrile
CID 132100552
2-[1-Methyl-4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile
CID 132101070
2-[1-Ethyl-4-(3,3,3-trifluoropropylamino)cyclohexyl]acetonitrile
CID 156487358
1-(Propan-2-ylamino)cyclohexane-1-carbonitrile
CID 21678966
1-(1-Aminoethyl)cyclohexane-1-carbonitrile
CID 123889664
N-(2-fluoroethyl)-2,2-dimethylcyclohexan-1-amine
CID 80695995
N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine
CID 81107202

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile (CID 113489890) is 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNC1CCCCC1(C)C.
What is the InChIKey of 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile?
The InChIKey is NOGZTWMGCHULBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-14(2,9-7-11-16)12-17-13-8-5-6-10-15(13,3)4/h13,17H,5-10,12H2,1-4H3.
What are the key properties of 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile?
5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile has a molecular weight of 236.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 113489890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).