1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine

C6H11N3 — CID 67154122

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine
SMILESC=CC(N)C1=NCCN1
InChIInChI=1S/C6H11N3/c1-2-5(7)6-8-3-4-9-6/h2,5H,1,3-4,7H2,(H,8,9)
InChIKeyAEHXGWQDMOZCMI-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.50
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine

1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine (PubChem CID 67154122) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine
PubChem CID67154122
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine
SMILESC=CC(N)C1=NCCN1
InChIInChI=1S/C6H11N3/c1-2-5(7)6-8-3-4-9-6/h2,5H,1,3-4,7H2,(H,8,9)
InChIKeyAEHXGWQDMOZCMI-UHFFFAOYSA-N
XLogP-0.50
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.50
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 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine (CID 67154122) is 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine is C=CC(N)C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine?
The InChIKey is AEHXGWQDMOZCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-5(7)6-8-3-4-9-6/h2,5H,1,3-4,7H2,(H,8,9).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine?
1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine has a molecular weight of 125.17 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 67154122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).