2-(cyclopentylamino)-2,5-dimethylhexanenitrile

C13H24N2 — CID 61002466

IUPAC2-(cyclopentylamino)-2,5-dimethylhexanenitrile
SMILESCC(C)CCC(C)(C#N)NC1CCCC1
InChIInChI=1S/C13H24N2/c1-11(2)8-9-13(3,10-14)15-12-6-4-5-7-12/h11-12,15H,4-9H2,1-3H3
InChIKeyFWIGEABOJVXUPN-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.24
Rot. Bonds5

About 2-(cyclopentylamino)-2,5-dimethylhexanenitrile

2-(cyclopentylamino)-2,5-dimethylhexanenitrile (PubChem CID 61002466) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2,5-dimethylhexanenitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2,5-dimethylhexanenitrile
PubChem CID61002466
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-(cyclopentylamino)-2,5-dimethylhexanenitrile
SMILESCC(C)CCC(C)(C#N)NC1CCCC1
InChIInChI=1S/C13H24N2/c1-11(2)8-9-13(3,10-14)15-12-6-4-5-7-12/h11-12,15H,4-9H2,1-3H3
InChIKeyFWIGEABOJVXUPN-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

2-(cyclopentylamino)-2-methylhex-5-enenitrile
CID 104655926
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
2-(cycloheptylamino)-2-methylhex-5-enenitrile
CID 104655930
2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509188
2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile
CID 78977480
3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
CID 62141603
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
2-(cyclobutylamino)-2,5-dimethylhexanoic acid
CID 115001848
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
2-(cyclopropylamino)-3-(4-hydroxybutan-2-ylsulfanyl)-2-methylpropanenitrile
CID 66137293
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 63965795
2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
CID 79917003

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2,5-dimethylhexanenitrile?
The IUPAC name of 2-(cyclopentylamino)-2,5-dimethylhexanenitrile (CID 61002466) is 2-(cyclopentylamino)-2,5-dimethylhexanenitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2,5-dimethylhexanenitrile?
The canonical SMILES for 2-(cyclopentylamino)-2,5-dimethylhexanenitrile is CC(C)CCC(C)(C#N)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-2,5-dimethylhexanenitrile?
The InChIKey is FWIGEABOJVXUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11(2)8-9-13(3,10-14)15-12-6-4-5-7-12/h11-12,15H,4-9H2,1-3H3.
What are the key properties of 2-(cyclopentylamino)-2,5-dimethylhexanenitrile?
2-(cyclopentylamino)-2,5-dimethylhexanenitrile 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 2-(cyclopentylamino)-2,5-dimethylhexanenitrile is sourced from PubChem (CID 61002466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).