5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine

C9H15N3 — CID 79509894

IUPAC5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(C2CC=CCC2)N1
InChIInChI=1S/C9H15N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-2,7-8H,3-6H2,(H3,10,11,12)
InChIKeyAOFLHBWOXQOPLQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.63
Rot. Bonds1

About 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine

5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 79509894) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID79509894
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(C2CC=CCC2)N1
InChIInChI=1S/C9H15N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-2,7-8H,3-6H2,(H3,10,11,12)
InChIKeyAOFLHBWOXQOPLQ-UHFFFAOYSA-N
XLogP0.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine (CID 79509894) is 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(C2CC=CCC2)N1.
What is the InChIKey of 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is AOFLHBWOXQOPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-2,7-8H,3-6H2,(H3,10,11,12).
What are the key properties of 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine?
5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 165.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-3-en-1-yl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 79509894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).