(1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine

C11H15N3 — CID 88996965

IUPAC(1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(C)=C/N)n1cnc(C)c1
InChIInChI=1S/C11H15N3/c1-9(6-12)4-5-11(3)14-7-10(2)13-8-14/h4-8H,3,12H2,1-2H3/b5-4-,9-6-
InChIKeyDNVPPEYHKVBESF-WXOLFVLTSA-N
MW189.26 g/mol
LogP2.08
Rot. Bonds3

About (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine

(1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine (PubChem CID 88996965) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine
PubChem CID88996965
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(C)=C/N)n1cnc(C)c1
InChIInChI=1S/C11H15N3/c1-9(6-12)4-5-11(3)14-7-10(2)13-8-14/h4-8H,3,12H2,1-2H3/b5-4-,9-6-
InChIKeyDNVPPEYHKVBESF-WXOLFVLTSA-N
XLogP2.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine (CID 88996965) is (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine is C=C(/C=C\C(C)=C/N)n1cnc(C)c1.
What is the InChIKey of (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine?
The InChIKey is DNVPPEYHKVBESF-WXOLFVLTSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(6-12)4-5-11(3)14-7-10(2)13-8-14/h4-8H,3,12H2,1-2H3/b5-4-,9-6-.
What are the key properties of (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine?
(1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-methyl-5-(4-methylimidazol-1-yl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 88996965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).