1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine

C9H15N3 — CID 126702180

IUPAC1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine
SMILESC/C=C\C=C(/C)N1CCN=C1N
InChIInChI=1S/C9H15N3/c1-3-4-5-8(2)12-7-6-11-9(12)10/h3-5H,6-7H2,1-2H3,(H2,10,11)/b4-3-,8-5+
InChIKeyFHXQRDNGYDTBTP-HMRFFJRGSA-N
MW165.24 g/mol
LogP1.10
Rot. Bonds2

About 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine

1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine (PubChem CID 126702180) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine
PubChem CID126702180
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine
SMILESC/C=C\C=C(/C)N1CCN=C1N
InChIInChI=1S/C9H15N3/c1-3-4-5-8(2)12-7-6-11-9(12)10/h3-5H,6-7H2,1-2H3,(H2,10,11)/b4-3-,8-5+
InChIKeyFHXQRDNGYDTBTP-HMRFFJRGSA-N
XLogP1.10
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine (CID 126702180) is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine is C/C=C\C=C(/C)N1CCN=C1N.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine?
The InChIKey is FHXQRDNGYDTBTP-HMRFFJRGSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-4-5-8(2)12-7-6-11-9(12)10/h3-5H,6-7H2,1-2H3,(H2,10,11)/b4-3-,8-5+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine?
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 126702180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).