(2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine

C9H13N3 — CID 177145905

IUPAC(2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine
SMILESC=C/C=C(/CN)c1nccn1C
InChIInChI=1S/C9H13N3/c1-3-4-8(7-10)9-11-5-6-12(9)2/h3-6H,1,7,10H2,2H3/b8-4-
InChIKeyVYKDATZHBDFCMV-YWEYNIOJSA-N
MW163.22 g/mol
LogP0.95
Rot. Bonds3

About (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine

(2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine (PubChem CID 177145905) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine
PubChem CID177145905
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine
SMILESC=C/C=C(/CN)c1nccn1C
InChIInChI=1S/C9H13N3/c1-3-4-8(7-10)9-11-5-6-12(9)2/h3-6H,1,7,10H2,2H3/b8-4-
InChIKeyVYKDATZHBDFCMV-YWEYNIOJSA-N
XLogP0.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 1-methylimidazole-2-carboximidate
CID 167047168
2-[(E)-but-2-en-2-yl]-1-methylimidazole
CID 155007735
but-3-enyl 1-methylimidazole-2-carboximidate
CID 167047156
[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
CID 116601746
tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
N-tert-butyl-4-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79608061
2-(dimethylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 79078425
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone
CID 116592298
N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide
CID 101260235
2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-one
CID 13152280
ethyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
CID 58066133

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine (CID 177145905) is (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine is C=C/C=C(/CN)c1nccn1C.
What is the InChIKey of (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine?
The InChIKey is VYKDATZHBDFCMV-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-4-8(7-10)9-11-5-6-12(9)2/h3-6H,1,7,10H2,2H3/b8-4-.
What are the key properties of (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine?
(2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-methylimidazol-2-yl)penta-2,4-dien-1-amine is sourced from PubChem (CID 177145905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).