2-imino-4-methylcyclohex-3-en-1-amine

C7H12N2 — CID 91018476

IUPAC2-imino-4-methylcyclohex-3-en-1-amine
SMILES[H]/N=C1\C=C(C)CCC1N
InChIInChI=1S/C7H12N2/c1-5-2-3-6(8)7(9)4-5/h4,6,9H,2-3,8H2,1H3/b9-7+
InChIKeyHKKBVCIMGDRXBP-VQHVLOKHSA-N
MW124.19 g/mol
LogP1.07
Rot. Bonds

About 2-imino-4-methylcyclohex-3-en-1-amine

2-imino-4-methylcyclohex-3-en-1-amine (PubChem CID 91018476) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-imino-4-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-imino-4-methylcyclohex-3-en-1-amine
PubChem CID91018476
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-imino-4-methylcyclohex-3-en-1-amine
SMILES[H]/N=C1\C=C(C)CCC1N
InChIInChI=1S/C7H12N2/c1-5-2-3-6(8)7(9)4-5/h4,6,9H,2-3,8H2,1H3/b9-7+
InChIKeyHKKBVCIMGDRXBP-VQHVLOKHSA-N
XLogP1.07
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
CID 88976714
6-Imino-2,5-dimethylcyclohexa-2,4-dien-1-amine
CID 89331862
3,4-Diethyl-2-iminocyclohex-3-en-1-amine
CID 91108254
2-Imino-3,4-dimethylcyclohex-3-en-1-amine
CID 91179392
2-Imino-3,4-dimethylcyclopent-3-en-1-amine
CID 91382058
2-Iminocyclohex-3-en-1-amine
CID 91537045
4-Iminocyclohex-2-en-1-amine
CID 123227294
3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine
CID 123268711
1-(6-Iminocyclohexen-1-yl)ethanamine
CID 123374353
1-(2,3-Dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
CID 123499287
4-Imino-2,5-dimethylcyclohex-2-en-1-amine
CID 123524045
1-(3-Iminocyclohexen-1-yl)ethanamine
CID 123703939

Frequently Asked Questions

What is the IUPAC name of 2-imino-4-methylcyclohex-3-en-1-amine?
The IUPAC name of 2-imino-4-methylcyclohex-3-en-1-amine (CID 91018476) is 2-imino-4-methylcyclohex-3-en-1-amine.
What is the SMILES notation for 2-imino-4-methylcyclohex-3-en-1-amine?
The canonical SMILES for 2-imino-4-methylcyclohex-3-en-1-amine is [H]/N=C1\C=C(C)CCC1N.
What is the InChIKey of 2-imino-4-methylcyclohex-3-en-1-amine?
The InChIKey is HKKBVCIMGDRXBP-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-2-3-6(8)7(9)4-5/h4,6,9H,2-3,8H2,1H3/b9-7+.
What are the key properties of 2-imino-4-methylcyclohex-3-en-1-amine?
2-imino-4-methylcyclohex-3-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 91018476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).