2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile

C15H20N2 — CID 79857140

IUPAC2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile
SMILESCc1cccc(NC2(C#N)CCCC2(C)C)c1
InChIInChI=1S/C15H20N2/c1-12-6-4-7-13(10-12)17-15(11-16)9-5-8-14(15,2)3/h4,6-7,10,17H,5,8-9H2,1-3H3
InChIKeyBHOFERSUSPCCHJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.88
Rot. Bonds2

About 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile

2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile (PubChem CID 79857140) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile
PubChem CID79857140
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile
SMILESCc1cccc(NC2(C#N)CCCC2(C)C)c1
InChIInChI=1S/C15H20N2/c1-12-6-4-7-13(10-12)17-15(11-16)9-5-8-14(15,2)3/h4,6-7,10,17H,5,8-9H2,1-3H3
InChIKeyBHOFERSUSPCCHJ-UHFFFAOYSA-N
XLogP3.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(3-methylanilino)cyclohexane-1-carbonitrile
CID 79847041
1-(2-chloroanilino)-2,2-dimethylcyclopentane-1-carbonitrile
CID 79857486
3-(3-methylanilino)thiane-3-carbonitrile
CID 62872749
3-(3-methylanilino)azetidine-3-carbonitrile
CID 79307239
3-(3-methylanilino)piperidine-3-carbonitrile
CID 79307148
2,5-dimethyl-1-(3-methylanilino)cyclohexane-1-carbonitrile
CID 64756564
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
4-fluoro-1-(3-methylanilino)-2,3-dihydroindene-1-carbonitrile
CID 83066160
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116958707
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile (CID 79857140) is 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile is Cc1cccc(NC2(C#N)CCCC2(C)C)c1.
What is the InChIKey of 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile?
The InChIKey is BHOFERSUSPCCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-6-4-7-13(10-12)17-15(11-16)9-5-8-14(15,2)3/h4,6-7,10,17H,5,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile?
2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79857140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).