5-(cyclohexylamino)-4,4-dimethylpentanenitrile

C13H24N2 — CID 115651344

IUPAC5-(cyclohexylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNC1CCCCC1
InChIInChI=1S/C13H24N2/c1-13(2,9-6-10-14)11-15-12-7-4-3-5-8-12/h12,15H,3-9,11H2,1-2H3
InChIKeyKBPWUTOLNUILFH-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.24
Rot. Bonds5

About 5-(cyclohexylamino)-4,4-dimethylpentanenitrile

5-(cyclohexylamino)-4,4-dimethylpentanenitrile (PubChem CID 115651344) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-(cyclohexylamino)-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(cyclohexylamino)-4,4-dimethylpentanenitrile
PubChem CID115651344
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-(cyclohexylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNC1CCCCC1
InChIInChI=1S/C13H24N2/c1-13(2,9-6-10-14)11-15-12-7-4-3-5-8-12/h12,15H,3-9,11H2,1-2H3
InChIKeyKBPWUTOLNUILFH-UHFFFAOYSA-N
XLogP3.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclopentylamino)-4,4-dimethylpentanenitrile
CID 115910566
4,4-dimethyl-5-(oxan-4-ylamino)pentanenitrile
CID 115652659
5-[(3-hydroxycyclohexyl)amino]-4,4-dimethylpentanenitrile
CID 115652692
5-[(1-acetylpiperidin-4-yl)amino]-4,4-dimethylpentanenitrile
CID 113242345
5-[(2,2-dimethylcyclohexyl)amino]-4,4-dimethylpentanenitrile
CID 113489890
N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
CID 106141048
4,4-dimethyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentanenitrile
CID 86796204
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
5-(cyclopropylmethylamino)-4,4-dimethylpentanenitrile
CID 115652002
N-(2-iodo-2-methylpropyl)cyclohexanamine
CID 121246583
N-(2,2,5,5-tetramethylhexyl)cyclopropanamine
CID 62725148
1-N-cyclohexyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847312

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-4,4-dimethylpentanenitrile?
The IUPAC name of 5-(cyclohexylamino)-4,4-dimethylpentanenitrile (CID 115651344) is 5-(cyclohexylamino)-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-(cyclohexylamino)-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-(cyclohexylamino)-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-4,4-dimethylpentanenitrile?
The InChIKey is KBPWUTOLNUILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(2,9-6-10-14)11-15-12-7-4-3-5-8-12/h12,15H,3-9,11H2,1-2H3.
What are the key properties of 5-(cyclohexylamino)-4,4-dimethylpentanenitrile?
5-(cyclohexylamino)-4,4-dimethylpentanenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115651344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).