4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine

C9H15N3 — CID 66993376

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine
SMILESC=CC(N)C(C=C)C1=NCCN1
InChIInChI=1S/C9H15N3/c1-3-7(8(10)4-2)9-11-5-6-12-9/h3-4,7-8H,1-2,5-6,10H2,(H,11,12)
InChIKeyFIKUOBIYWKTGAO-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.30
Rot. Bonds4

About 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine

4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine (PubChem CID 66993376) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine
PubChem CID66993376
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine
SMILESC=CC(N)C(C=C)C1=NCCN1
InChIInChI=1S/C9H15N3/c1-3-7(8(10)4-2)9-11-5-6-12-9/h3-4,7-8H,1-2,5-6,10H2,(H,11,12)
InChIKeyFIKUOBIYWKTGAO-UHFFFAOYSA-N
XLogP0.30
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.30
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 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine (CID 66993376) is 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine is C=CC(N)C(C=C)C1=NCCN1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine?
The InChIKey is FIKUOBIYWKTGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-7(8(10)4-2)9-11-5-6-12-9/h3-4,7-8H,1-2,5-6,10H2,(H,11,12).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine?
4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine has a molecular weight of 165.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)hexa-1,5-dien-3-amine is sourced from PubChem (CID 66993376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).