(4-methyliminocyclohex-2-en-1-yl)methanamine

C8H14N2 — CID 123703590

IUPAC(4-methyliminocyclohex-2-en-1-yl)methanamine
SMILESC/N=C1/C=CC(CN)CC1
InChIInChI=1S/C8H14N2/c1-10-8-4-2-7(6-9)3-5-8/h2,4,7H,3,5-6,9H2,1H3/b10-8-
InChIKeyVWLZKSGQZOCXMQ-NTMALXAHSA-N
MW138.21 g/mol
LogP0.98
Rot. Bonds1

About (4-methyliminocyclohex-2-en-1-yl)methanamine

(4-methyliminocyclohex-2-en-1-yl)methanamine (PubChem CID 123703590) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (4-methyliminocyclohex-2-en-1-yl)methanamine.

Molecular Properties

Compound Name(4-methyliminocyclohex-2-en-1-yl)methanamine
PubChem CID123703590
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(4-methyliminocyclohex-2-en-1-yl)methanamine
SMILESC/N=C1/C=CC(CN)CC1
InChIInChI=1S/C8H14N2/c1-10-8-4-2-7(6-9)3-5-8/h2,4,7H,3,5-6,9H2,1H3/b10-8-
InChIKeyVWLZKSGQZOCXMQ-NTMALXAHSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4-methyliminocyclohex-2-en-1-yl)methanamine 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

5-Fluoro-2-imino-6-methylcyclohex-3-en-1-amine
CID 91117964
2-Imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine
CID 89074104
2-imino-2-[(6S)-6-methylcyclohex-3-en-1-yl]ethanamine
CID 89153885
6-Methyl-3-propyl-2,3-dihydropyridine
CID 90941933
Cyclopropyl-(3-methyl-2,3-dihydropyridin-6-yl)methanamine
CID 91269933
(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
N-methyl-2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123142247
4-Imino-5,6-dimethylcyclohex-2-en-1-amine
CID 123143860
2-[(6-Methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123211734
1-(5-Imino-6-methylcyclohex-3-en-1-yl)ethanamine
CID 123217836
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384
7-(1-Amino-3-methylbutyl)iminooct-5-en-1-amine
CID 123446462

Frequently Asked Questions

What is the IUPAC name of (4-methyliminocyclohex-2-en-1-yl)methanamine?
The IUPAC name of (4-methyliminocyclohex-2-en-1-yl)methanamine (CID 123703590) is (4-methyliminocyclohex-2-en-1-yl)methanamine.
What is the SMILES notation for (4-methyliminocyclohex-2-en-1-yl)methanamine?
The canonical SMILES for (4-methyliminocyclohex-2-en-1-yl)methanamine is C/N=C1/C=CC(CN)CC1.
What is the InChIKey of (4-methyliminocyclohex-2-en-1-yl)methanamine?
The InChIKey is VWLZKSGQZOCXMQ-NTMALXAHSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-8-4-2-7(6-9)3-5-8/h2,4,7H,3,5-6,9H2,1H3/b10-8-.
What are the key properties of (4-methyliminocyclohex-2-en-1-yl)methanamine?
(4-methyliminocyclohex-2-en-1-yl)methanamine has a molecular weight of 138.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyliminocyclohex-2-en-1-yl)methanamine is sourced from PubChem (CID 123703590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).