3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile

C9H12N2 — CID 142264322

IUPAC3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile
SMILESCNC1=C(C)C=C(C#N)CC1
InChIInChI=1S/C9H12N2/c1-7-5-8(6-10)3-4-9(7)11-2/h5,11H,3-4H2,1-2H3
InChIKeyLONMSWBYHCNDPR-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.72
Rot. Bonds1

About 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile

3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile (PubChem CID 142264322) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile
PubChem CID142264322
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile
SMILESCNC1=C(C)C=C(C#N)CC1
InChIInChI=1S/C9H12N2/c1-7-5-8(6-10)3-4-9(7)11-2/h5,11H,3-4H2,1-2H3
InChIKeyLONMSWBYHCNDPR-UHFFFAOYSA-N
XLogP1.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile 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-Fluoro-5-(methylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 163523076
6-Fluoro-2-(methylamino)cyclohexa-1,3-diene-1-carbonitrile
CID 163900908
3-Fluoro-4-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-diene-1-carbonitrile
CID 154689470
2-(Methylamino)cyclohexene-1-carbonitrile
CID 12251745
N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 68394047
CID 89297754
CID 89297754
6-Methyl-3-octyl-1,2-dihydropyridine-5-carbonitrile
CID 129100598
4-Amino-3-ethylcyclohexa-1,3-diene-1-carbonitrile
CID 129196445
2-[5,5-Dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]propanedinitrile
CID 132030400
2,4-Diethyl-6-(prop-1-en-2-ylamino)cyclohexa-1,3-diene-1-carbonitrile
CID 134172951
5-Ethenyl-6-methyl-1,2,3,4-tetrahydropyridine-2-carbonitrile
CID 134177688
(2E,4E)-5-(ethylamino)-2,3-dimethylocta-2,4-dienenitrile
CID 138528721

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile?
The IUPAC name of 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile (CID 142264322) is 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile.
What is the SMILES notation for 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile?
The canonical SMILES for 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile is CNC1=C(C)C=C(C#N)CC1.
What is the InChIKey of 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile?
The InChIKey is LONMSWBYHCNDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-5-8(6-10)3-4-9(7)11-2/h5,11H,3-4H2,1-2H3.
What are the key properties of 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile?
3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)cyclohexa-1,3-diene-1-carbonitrile is sourced from PubChem (CID 142264322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).