2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine

C8H12N2 — CID 118176547

IUPAC2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine
SMILES[H]/N=C(\CN)C1=CCCC=C1
InChIInChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h2,4-5,10H,1,3,6,9H2/b10-8+
InChIKeyXVSGXGHHISHUEO-CSKARUKUSA-N
MW136.20 g/mol
LogP1.24
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine

2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine (PubChem CID 118176547) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine
PubChem CID118176547
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine
SMILES[H]/N=C(\CN)C1=CCCC=C1
InChIInChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h2,4-5,10H,1,3,6,9H2/b10-8+
InChIKeyXVSGXGHHISHUEO-CSKARUKUSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine (CID 118176547) is 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine is [H]/N=C(\CN)C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine?
The InChIKey is XVSGXGHHISHUEO-CSKARUKUSA-N. The full InChI is InChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h2,4-5,10H,1,3,6,9H2/b10-8+.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine?
2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine has a molecular weight of 136.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-2-iminoethanamine is sourced from PubChem (CID 118176547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).