2-iminocyclohex-3-en-1-amine

C6H10N2 — CID 91537045

IUPAC2-iminocyclohex-3-en-1-amine
SMILES[H]/N=C1\C=CCCC1N
InChIInChI=1S/C6H10N2/c7-5-3-1-2-4-6(5)8/h1,3,6-7H,2,4,8H2/b7-5+
InChIKeyPAWRDUHHRQGZOY-FNORWQNLSA-N
MW110.16 g/mol
LogP0.68
Rot. Bonds

About 2-iminocyclohex-3-en-1-amine

2-iminocyclohex-3-en-1-amine (PubChem CID 91537045) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-iminocyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-iminocyclohex-3-en-1-amine
PubChem CID91537045
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-iminocyclohex-3-en-1-amine
SMILES[H]/N=C1\C=CCCC1N
InChIInChI=1S/C6H10N2/c7-5-3-1-2-4-6(5)8/h1,3,6-7H,2,4,8H2/b7-5+
InChIKeyPAWRDUHHRQGZOY-FNORWQNLSA-N
XLogP0.68
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.68
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

Cyclohex-4-ene-1,3-diimine
CID 101179917
4-Iminocyclohexa-2,5-dien-1-amine
CID 140108
(E)-1,1,1-trifluoro-4-iminohept-5-en-2-amine
CID 123196500
3-Iminonona-1,7,8-trien-4-amine
CID 90802406
6-Diazo-5-iminocyclohex-2-en-1-amine
CID 57136356
2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
CID 88976714
N-[(1R)-6-amino-2-iminocyclohex-3-en-1-yl]thiohydroxylamine
CID 89074005
Cyclohex-3-ene-1,2-diimine
CID 89322383
2-Iminocyclopent-3-en-1-amine
CID 90973491
2-Imino-4-methylcyclohex-3-en-1-amine
CID 91018476
(Z)-6-iminohept-4-en-1-amine
CID 91431506
2-Iminocyclooct-3-en-1-amine
CID 91450052

Frequently Asked Questions

What is the IUPAC name of 2-iminocyclohex-3-en-1-amine?
The IUPAC name of 2-iminocyclohex-3-en-1-amine (CID 91537045) is 2-iminocyclohex-3-en-1-amine.
What is the SMILES notation for 2-iminocyclohex-3-en-1-amine?
The canonical SMILES for 2-iminocyclohex-3-en-1-amine is [H]/N=C1\C=CCCC1N.
What is the InChIKey of 2-iminocyclohex-3-en-1-amine?
The InChIKey is PAWRDUHHRQGZOY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H10N2/c7-5-3-1-2-4-6(5)8/h1,3,6-7H,2,4,8H2/b7-5+.
What are the key properties of 2-iminocyclohex-3-en-1-amine?
2-iminocyclohex-3-en-1-amine has a molecular weight of 110.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminocyclohex-3-en-1-amine is sourced from PubChem (CID 91537045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).