N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine

C14H23N — CID 129210105

IUPACN-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine
SMILESC=CC/C=N/C(/C=C\C(C)C)=C/C(C)C
InChIInChI=1S/C14H23N/c1-6-7-10-15-14(11-13(4)5)9-8-12(2)3/h6,8-13H,1,7H2,2-5H3/b9-8-,14-11+,15-10+
InChIKeyMRNYNTXDEZJKJV-SAWGNTFZSA-N
MW205.34 g/mol
LogP4.39
Rot. Bonds6

About N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine

N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine (PubChem CID 129210105) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine.

Molecular Properties

Compound NameN-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine
PubChem CID129210105
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine
SMILESC=CC/C=N/C(/C=C\C(C)C)=C/C(C)C
InChIInChI=1S/C14H23N/c1-6-7-10-15-14(11-13(4)5)9-8-12(2)3/h6,8-13H,1,7H2,2-5H3/b9-8-,14-11+,15-10+
InChIKeyMRNYNTXDEZJKJV-SAWGNTFZSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-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 N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine?
The IUPAC name of N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine (CID 129210105) is N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine.
What is the SMILES notation for N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine?
The canonical SMILES for N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine is C=CC/C=N/C(/C=C\C(C)C)=C/C(C)C.
What is the InChIKey of N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine?
The InChIKey is MRNYNTXDEZJKJV-SAWGNTFZSA-N. The full InChI is InChI=1S/C14H23N/c1-6-7-10-15-14(11-13(4)5)9-8-12(2)3/h6,8-13H,1,7H2,2-5H3/b9-8-,14-11+,15-10+.
What are the key properties of N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine?
N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-2,7-dimethylocta-3,5-dien-4-yl]but-3-en-1-imine is sourced from PubChem (CID 129210105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).