1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine

C8H12N2 — CID 89214891

IUPAC1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine
SMILES[H]/N=C/C(N)C1C=CC=CC1
InChIInChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h1-4,6-9H,5,10H2/b9-6+
InChIKeyGUSWQHZNHQQRDH-RMKNXTFCSA-N
MW136.20 g/mol
LogP1.10
Rot. Bonds2

About 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine

1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine (PubChem CID 89214891) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine
PubChem CID89214891
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine
SMILES[H]/N=C/C(N)C1C=CC=CC1
InChIInChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h1-4,6-9H,5,10H2/b9-6+
InChIKeyGUSWQHZNHQQRDH-RMKNXTFCSA-N
XLogP1.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine (CID 89214891) is 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine is [H]/N=C/C(N)C1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine?
The InChIKey is GUSWQHZNHQQRDH-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h1-4,6-9H,5,10H2/b9-6+.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine?
1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine has a molecular weight of 136.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine is sourced from PubChem (CID 89214891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).