5-(cyclopentylamino)-4,4-dimethylpentanenitrile

C12H22N2 — CID 115910566

IUPAC5-(cyclopentylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNC1CCCC1
InChIInChI=1S/C12H22N2/c1-12(2,8-5-9-13)10-14-11-6-3-4-7-11/h11,14H,3-8,10H2,1-2H3
InChIKeyZRGVATBRHDDDOO-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds5

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

5-(cyclopentylamino)-4,4-dimethylpentanenitrile (PubChem CID 115910566) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-(cyclopentylamino)-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(cyclopentylamino)-4,4-dimethylpentanenitrile
PubChem CID115910566
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-(cyclopentylamino)-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNC1CCCC1
InChIInChI=1S/C12H22N2/c1-12(2,8-5-9-13)10-14-11-6-3-4-7-11/h11,14H,3-8,10H2,1-2H3
InChIKeyZRGVATBRHDDDOO-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Tert-Octylamino)Propionitrile
CID 573950
4,4-Dimethyl-5-(4,4,4-trifluorobutan-2-ylamino)pentanenitrile
CID 105931923
2,2-Dimethyl-5-(4,4,4-trifluorobutan-2-ylamino)pentanenitrile
CID 105935614
2,2-Dimethyl-6-(4,4,4-trifluorobutan-2-ylamino)hexanenitrile
CID 114130546
5-(3-Fluoropropylamino)-4,4-dimethylpentanenitrile
CID 115732911
3-[[(1S,2R)-2-fluorocyclopentyl]amino]-2-methylbutanenitrile
CID 130679778
3,3-Diethylpiperidine-2-carbonitrile
CID 10797154
4,4-Dimethyl-5-(2-methylpropylamino)pentanenitrile
CID 12413581
3-[(5-Amino-4-methylpentyl)amino]pentanenitrile
CID 15020039
4-Methyl-2-(propan-2-ylamino)pentanenitrile
CID 15852216
2-Cyclopentyl-2-(propan-2-ylamino)acetonitrile
CID 17932419
4,4-Dimethyl-5-(methylamino)pentanenitrile
CID 20774348

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylamino)-4,4-dimethylpentanenitrile?
The IUPAC name of 5-(cyclopentylamino)-4,4-dimethylpentanenitrile (CID 115910566) is 5-(cyclopentylamino)-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-(cyclopentylamino)-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-(cyclopentylamino)-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNC1CCCC1.
What is the InChIKey of 5-(cyclopentylamino)-4,4-dimethylpentanenitrile?
The InChIKey is ZRGVATBRHDDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(2,8-5-9-13)10-14-11-6-3-4-7-11/h11,14H,3-8,10H2,1-2H3.
What are the key properties of 5-(cyclopentylamino)-4,4-dimethylpentanenitrile?
5-(cyclopentylamino)-4,4-dimethylpentanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115910566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).