2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete

C11H15N — CID 89351745

IUPAC2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete
SMILESC/C=C(/C)C(C1=NC=C1)=C(C)C
InChIInChI=1S/C11H15N/c1-5-9(4)11(8(2)3)10-6-7-12-10/h5-7H,1-4H3/b9-5-
InChIKeyFVDRVFHMMMILLD-UITAMQMPSA-N
MW161.25 g/mol
LogP3.26
Rot. Bonds2

About 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete

2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete (PubChem CID 89351745) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete.

Molecular Properties

Compound Name2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete
PubChem CID89351745
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete
SMILESC/C=C(/C)C(C1=NC=C1)=C(C)C
InChIInChI=1S/C11H15N/c1-5-9(4)11(8(2)3)10-6-7-12-10/h5-7H,1-4H3/b9-5-
InChIKeyFVDRVFHMMMILLD-UITAMQMPSA-N
XLogP3.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete 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

(1Z)-1-Benzazocine
CID 17846319
5H-Indole
CID 20712154
Dibenz[b,f]azocine
CID 23633137
2-Pentylazocine
CID 57095178
Methyl(ethyl) 3h azepine
CID 91189360
10,11-Dihydro-dibenzazepine
CID 126697729
4,6-Dihydroquinoline
CID 129722681
2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3,8-dimethylideneazecine
CID 130341015
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 144248551
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
CID 166976493

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete?
The IUPAC name of 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete (CID 89351745) is 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete.
What is the SMILES notation for 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete?
The canonical SMILES for 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete is C/C=C(/C)C(C1=NC=C1)=C(C)C.
What is the InChIKey of 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete?
The InChIKey is FVDRVFHMMMILLD-UITAMQMPSA-N. The full InChI is InChI=1S/C11H15N/c1-5-9(4)11(8(2)3)10-6-7-12-10/h5-7H,1-4H3/b9-5-.
What are the key properties of 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete?
2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete has a molecular weight of 161.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-2,4-dimethylhexa-2,4-dien-3-yl]azete is sourced from PubChem (CID 89351745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).