N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine

C20H35N — CID 126626575

IUPACN-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine
SMILESC=C/C=C\N=C(/C=C)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H35N/c1-5-9-12-14-16-19(17-15-13-10-6-2)20(8-4)21-18-11-7-3/h7-8,11,18-19H,3-6,9-10,12-17H2,1-2H3/b18-11-,21-20+
InChIKeyIDEUJEVHOMQEIR-HVEIJDALSA-N
MW289.51 g/mol
LogP6.87
Rot. Bonds14

About N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine

N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine (PubChem CID 126626575) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine
PubChem CID126626575
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine
SMILESC=C/C=C\N=C(/C=C)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H35N/c1-5-9-12-14-16-19(17-15-13-10-6-2)20(8-4)21-18-11-7-3/h7-8,11,18-19H,3-6,9-10,12-17H2,1-2H3/b18-11-,21-20+
InChIKeyIDEUJEVHOMQEIR-HVEIJDALSA-N
XLogP6.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-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-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine (CID 126626575) is N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine is C=C/C=C\N=C(/C=C)C(CCCCCC)CCCCCC.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine?
The InChIKey is IDEUJEVHOMQEIR-HVEIJDALSA-N. The full InChI is InChI=1S/C20H35N/c1-5-9-12-14-16-19(17-15-13-10-6-2)20(8-4)21-18-11-7-3/h7-8,11,18-19H,3-6,9-10,12-17H2,1-2H3/b18-11-,21-20+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine?
N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine has a molecular weight of 289.51 g/mol, XLogP of 6.87, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-4-hexyldec-1-en-3-imine is sourced from PubChem (CID 126626575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).