(3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine

C10H15N3 — CID 167028660

IUPAC(3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C/C=C/N1C=CN(C)C1
InChIInChI=1S/C10H15N3/c1-3-10(11)5-4-6-13-8-7-12(2)9-13/h3-8H,1,9,11H2,2H3/b6-4+,10-5-
InChIKeyZFDWCFFRYMPUEF-JQGVROHRSA-N
MW177.25 g/mol
LogP1.20
Rot. Bonds3

About (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine

(3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine (PubChem CID 167028660) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine
PubChem CID167028660
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C/C=C/N1C=CN(C)C1
InChIInChI=1S/C10H15N3/c1-3-10(11)5-4-6-13-8-7-12(2)9-13/h3-8H,1,9,11H2,2H3/b6-4+,10-5-
InChIKeyZFDWCFFRYMPUEF-JQGVROHRSA-N
XLogP1.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.20
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 (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine (CID 167028660) is (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine is C=C/C(N)=C/C=C/N1C=CN(C)C1.
What is the InChIKey of (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine?
The InChIKey is ZFDWCFFRYMPUEF-JQGVROHRSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-10(11)5-4-6-13-8-7-12(2)9-13/h3-8H,1,9,11H2,2H3/b6-4+,10-5-.
What are the key properties of (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine?
(3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine has a molecular weight of 177.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-(3-methyl-2H-imidazol-1-yl)hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 167028660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).