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

C7H12N2O — CID 91107376

IUPAC2-imino-4-methoxycyclohex-3-en-1-amine
SMILES[H]/N=C1\C=C(OC)CCC1N
InChIInChI=1S/C7H12N2O/c1-10-5-2-3-6(8)7(9)4-5/h4,6,9H,2-3,8H2,1H3/b9-7+
InChIKeyUVQDHJOWAOPUIO-VQHVLOKHSA-N
MW140.19 g/mol
LogP0.66
Rot. Bonds1

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

2-imino-4-methoxycyclohex-3-en-1-amine (PubChem CID 91107376) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-imino-4-methoxycyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-imino-4-methoxycyclohex-3-en-1-amine
PubChem CID91107376
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-imino-4-methoxycyclohex-3-en-1-amine
SMILES[H]/N=C1\C=C(OC)CCC1N
InChIInChI=1S/C7H12N2O/c1-10-5-2-3-6(8)7(9)4-5/h4,6,9H,2-3,8H2,1H3/b9-7+
InChIKeyUVQDHJOWAOPUIO-VQHVLOKHSA-N
XLogP0.66
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxycyclohex-3-en-1-amine
CID 89153912
4-Methoxycyclohex-3-ene-1,2-diimine
CID 145321311

Frequently Asked Questions

What is the IUPAC name of 2-imino-4-methoxycyclohex-3-en-1-amine?
The IUPAC name of 2-imino-4-methoxycyclohex-3-en-1-amine (CID 91107376) is 2-imino-4-methoxycyclohex-3-en-1-amine.
What is the SMILES notation for 2-imino-4-methoxycyclohex-3-en-1-amine?
The canonical SMILES for 2-imino-4-methoxycyclohex-3-en-1-amine is [H]/N=C1\C=C(OC)CCC1N.
What is the InChIKey of 2-imino-4-methoxycyclohex-3-en-1-amine?
The InChIKey is UVQDHJOWAOPUIO-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-5-2-3-6(8)7(9)4-5/h4,6,9H,2-3,8H2,1H3/b9-7+.
What are the key properties of 2-imino-4-methoxycyclohex-3-en-1-amine?
2-imino-4-methoxycyclohex-3-en-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4-methoxycyclohex-3-en-1-amine is sourced from PubChem (CID 91107376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).