(E)-N,4-dimethylhex-3-en-5-yn-2-imine

C8H11N — CID 91053481

IUPAC(E)-N,4-dimethylhex-3-en-5-yn-2-imine
SMILESC#C/C(C)=C/C(C)=N/C
InChIInChI=1S/C8H11N/c1-5-7(2)6-8(3)9-4/h1,6H,2-4H3/b7-6+,9-8+
InChIKeyGNXJARVLRVUQFE-BLHCBFLLSA-N
MW121.18 g/mol
LogP1.66
Rot. Bonds1

About (E)-N,4-dimethylhex-3-en-5-yn-2-imine

(E)-N,4-dimethylhex-3-en-5-yn-2-imine (PubChem CID 91053481) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (E)-N,4-dimethylhex-3-en-5-yn-2-imine.

Molecular Properties

Compound Name(E)-N,4-dimethylhex-3-en-5-yn-2-imine
PubChem CID91053481
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(E)-N,4-dimethylhex-3-en-5-yn-2-imine
SMILESC#C/C(C)=C/C(C)=N/C
InChIInChI=1S/C8H11N/c1-5-7(2)6-8(3)9-4/h1,6H,2-4H3/b7-6+,9-8+
InChIKeyGNXJARVLRVUQFE-BLHCBFLLSA-N
XLogP1.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,4-dimethylhex-3-en-5-yn-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

N,4-dimethylpent-3-en-2-imine
CID 20725565
6-Prop-1-ynyl-2,3-dihydropyridine
CID 89208641
(E)-N,4-dimethylhex-3-en-2-imine
CID 89965377
N,4-dimethylhex-3-en-2-imine
CID 91494846
N-ethyl-4-methylpent-3-en-2-imine
CID 122468271
N,3-dimethylhepta-3,6-dien-2-imine
CID 123241993
N-methylhex-4-en-1-yn-3-imine
CID 123279994
N-ethyl-3-methylpent-3-en-2-imine
CID 123466297
3-ethyl-N-methylcyclopent-2-en-4-yn-1-imine
CID 123701711
(E)-N-ethyl-4-methylhex-3-en-2-imine
CID 123799027
N,6-dimethylhept-4-en-1-yn-3-imine
CID 123838909
(4E)-N,5-dimethylhepta-1,4-dien-3-imine
CID 132023797

Frequently Asked Questions

What is the IUPAC name of (E)-N,4-dimethylhex-3-en-5-yn-2-imine?
The IUPAC name of (E)-N,4-dimethylhex-3-en-5-yn-2-imine (CID 91053481) is (E)-N,4-dimethylhex-3-en-5-yn-2-imine.
What is the SMILES notation for (E)-N,4-dimethylhex-3-en-5-yn-2-imine?
The canonical SMILES for (E)-N,4-dimethylhex-3-en-5-yn-2-imine is C#C/C(C)=C/C(C)=N/C.
What is the InChIKey of (E)-N,4-dimethylhex-3-en-5-yn-2-imine?
The InChIKey is GNXJARVLRVUQFE-BLHCBFLLSA-N. The full InChI is InChI=1S/C8H11N/c1-5-7(2)6-8(3)9-4/h1,6H,2-4H3/b7-6+,9-8+.
What are the key properties of (E)-N,4-dimethylhex-3-en-5-yn-2-imine?
(E)-N,4-dimethylhex-3-en-5-yn-2-imine has a molecular weight of 121.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4-dimethylhex-3-en-5-yn-2-imine is sourced from PubChem (CID 91053481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).