3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine

C8H15N3 — CID 69238786

IUPAC3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine
SMILESC=CC(C(C)N)N1C=NCC1
InChIInChI=1S/C8H15N3/c1-3-8(7(2)9)11-5-4-10-6-11/h3,6-8H,1,4-5,9H2,2H3
InChIKeyPHCSIPJPMTWLAE-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.23
Rot. Bonds3

About 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine

3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine (PubChem CID 69238786) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine
PubChem CID69238786
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine
SMILESC=CC(C(C)N)N1C=NCC1
InChIInChI=1S/C8H15N3/c1-3-8(7(2)9)11-5-4-10-6-11/h3,6-8H,1,4-5,9H2,2H3
InChIKeyPHCSIPJPMTWLAE-UHFFFAOYSA-N
XLogP0.23
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.23
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 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine (CID 69238786) is 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine is C=CC(C(C)N)N1C=NCC1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine?
The InChIKey is PHCSIPJPMTWLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-8(7(2)9)11-5-4-10-6-11/h3,6-8H,1,4-5,9H2,2H3.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine?
3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)pent-4-en-2-amine is sourced from PubChem (CID 69238786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).