(5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine

C11H17N3 — CID 155054265

IUPAC(5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine
SMILESCC/C(C)=C/C=C1/N=CN(C)/C1=N\C
InChIInChI=1S/C11H17N3/c1-5-9(2)6-7-10-11(12-3)14(4)8-13-10/h6-8H,5H2,1-4H3/b9-6+,10-7+,12-11-
InChIKeyHDQLZRLTEUJWBD-DKSZHVLMSA-N
MW191.28 g/mol
LogP2.23
Rot. Bonds2

About (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine

(5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine (PubChem CID 155054265) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine.

Molecular Properties

Compound Name(5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine
PubChem CID155054265
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine
SMILESCC/C(C)=C/C=C1/N=CN(C)/C1=N\C
InChIInChI=1S/C11H17N3/c1-5-9(2)6-7-10-11(12-3)14(4)8-13-10/h6-8H,5H2,1-4H3/b9-6+,10-7+,12-11-
InChIKeyHDQLZRLTEUJWBD-DKSZHVLMSA-N
XLogP2.23
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine 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 (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine?
The IUPAC name of (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine (CID 155054265) is (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine.
What is the SMILES notation for (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine?
The canonical SMILES for (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine is CC/C(C)=C/C=C1/N=CN(C)/C1=N\C.
What is the InChIKey of (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine?
The InChIKey is HDQLZRLTEUJWBD-DKSZHVLMSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-9(2)6-7-10-11(12-3)14(4)8-13-10/h6-8H,5H2,1-4H3/b9-6+,10-7+,12-11-.
What are the key properties of (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine?
(5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine has a molecular weight of 191.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N,3-dimethyl-5-[(E)-3-methylpent-2-enylidene]imidazol-4-imine is sourced from PubChem (CID 155054265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).