3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile

C15H28N2 — CID 112682097

IUPAC3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H28N2/c1-6-12(7-8-16)17-13-9-14(2,3)11-15(4,5)10-13/h12-13,17H,6-7,9-11H2,1-5H3
InChIKeyYDXIGABKKAIMAO-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.87
Rot. Bonds4

About 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile

3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile (PubChem CID 112682097) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile
PubChem CID112682097
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H28N2/c1-6-12(7-8-16)17-13-9-14(2,3)11-15(4,5)10-13/h12-13,17H,6-7,9-11H2,1-5H3
InChIKeyYDXIGABKKAIMAO-UHFFFAOYSA-N
XLogP3.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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
N-ethyl-1,3,3,5,5-pentamethylcyclohexan-1-amine
CID 10130369
1,3,3-Trimethyl-N-(2-methylpropyl)-5-((2-methylpropyl)amino)cyclohexanemethanamine
CID 54504755
4,4-Dimethyl-5-[(3-methylcyclohexyl)amino]pentanenitrile
CID 110209328
3-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propiononitrile
CID 3019933
3-Cyano-3,5,5-trimethylcyclohexylamine
CID 21694456
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
3,3,5-Trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile
CID 54892489

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile?
The IUPAC name of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile (CID 112682097) is 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile.
What is the SMILES notation for 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile?
The canonical SMILES for 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile is CCC(CC#N)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile?
The InChIKey is YDXIGABKKAIMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-6-12(7-8-16)17-13-9-14(2,3)11-15(4,5)10-13/h12-13,17H,6-7,9-11H2,1-5H3.
What are the key properties of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile?
3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile has a molecular weight of 236.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanenitrile is sourced from PubChem (CID 112682097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).