2-(cyclopentylamino)-2-methylhex-5-enenitrile

C12H20N2 — CID 104655926

IUPAC2-(cyclopentylamino)-2-methylhex-5-enenitrile
SMILESC=CCCC(C)(C#N)NC1CCCC1
InChIInChI=1S/C12H20N2/c1-3-4-9-12(2,10-13)14-11-7-5-6-8-11/h3,11,14H,1,4-9H2,2H3
InChIKeyDCMDYKKZDUMZTI-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.77
Rot. Bonds5

About 2-(cyclopentylamino)-2-methylhex-5-enenitrile

2-(cyclopentylamino)-2-methylhex-5-enenitrile (PubChem CID 104655926) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-methylhex-5-enenitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-methylhex-5-enenitrile
PubChem CID104655926
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(cyclopentylamino)-2-methylhex-5-enenitrile
SMILESC=CCCC(C)(C#N)NC1CCCC1
InChIInChI=1S/C12H20N2/c1-3-4-9-12(2,10-13)14-11-7-5-6-8-11/h3,11,14H,1,4-9H2,2H3
InChIKeyDCMDYKKZDUMZTI-UHFFFAOYSA-N
XLogP2.77
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclopentylamino)-2-methylhex-5-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cycloheptylamino)-2-methylhex-5-enenitrile
CID 104655930
2-(cyclopentylamino)-2,5-dimethylhexanenitrile
CID 61002466
2-(cyclopentylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509188
2-methyl-2-(propan-2-ylamino)hex-5-enenitrile
CID 104655874
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
2-(cyclopropylamino)-4-(2-cyclopropylethoxy)-2-methylbutanenitrile
CID 106204139
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpropanenitrile
CID 63120172
2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
CID 66224958
3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
CID 62141603
2-[2-(dimethylamino)ethylamino]-2-methylhex-5-enenitrile
CID 104655896
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
CID 105416596

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-methylhex-5-enenitrile?
The IUPAC name of 2-(cyclopentylamino)-2-methylhex-5-enenitrile (CID 104655926) is 2-(cyclopentylamino)-2-methylhex-5-enenitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-methylhex-5-enenitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-methylhex-5-enenitrile is C=CCCC(C)(C#N)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-2-methylhex-5-enenitrile?
The InChIKey is DCMDYKKZDUMZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-4-9-12(2,10-13)14-11-7-5-6-8-11/h3,11,14H,1,4-9H2,2H3.
What are the key properties of 2-(cyclopentylamino)-2-methylhex-5-enenitrile?
2-(cyclopentylamino)-2-methylhex-5-enenitrile has a molecular weight of 192.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-methylhex-5-enenitrile is sourced from PubChem (CID 104655926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).