1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine

C9H15N3 — CID 45088843

IUPAC1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1C1C=CCCC1
InChIInChI=1S/C9H15N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h2,4,8H,1,3,5-7H2,(H2,10,11)
InChIKeyHQHDMZBFWJXTDO-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.73
Rot. Bonds1

About 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine

1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine (PubChem CID 45088843) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine
PubChem CID45088843
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1C1C=CCCC1
InChIInChI=1S/C9H15N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h2,4,8H,1,3,5-7H2,(H2,10,11)
InChIKeyHQHDMZBFWJXTDO-UHFFFAOYSA-N
XLogP0.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
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 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine (CID 45088843) is 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine is NC1=NCCN1C1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is HQHDMZBFWJXTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-9-11-6-7-12(9)8-4-2-1-3-5-8/h2,4,8H,1,3,5-7H2,(H2,10,11).
What are the key properties of 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine?
1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 165.24 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 45088843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).