N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine

C17H31N — CID 129310260

IUPACN-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine
SMILESC/C=N/C=C\C(C)CCC(C)(C)/C=C\[C@H](C)CC
InChIInChI=1S/C17H31N/c1-7-15(3)9-12-17(5,6)13-10-16(4)11-14-18-8-2/h8-9,11-12,14-16H,7,10,13H2,1-6H3/b12-9-,14-11-,18-8+/t15-,16?/m1/s1
InChIKeyWGEMHJSELZKBHZ-MDPINGDNSA-N
MW249.44 g/mol
LogP5.64
Rot. Bonds8

About N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine

N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine (PubChem CID 129310260) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine
PubChem CID129310260
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine
SMILESC/C=N/C=C\C(C)CCC(C)(C)/C=C\[C@H](C)CC
InChIInChI=1S/C17H31N/c1-7-15(3)9-12-17(5,6)13-10-16(4)11-14-18-8-2/h8-9,11-12,14-16H,7,10,13H2,1-6H3/b12-9-,14-11-,18-8+/t15-,16?/m1/s1
InChIKeyWGEMHJSELZKBHZ-MDPINGDNSA-N
XLogP5.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.64
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'}

Analyze N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine 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,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine?
The IUPAC name of N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine (CID 129310260) is N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine?
The canonical SMILES for N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine is C/C=N/C=C\C(C)CCC(C)(C)/C=C\[C@H](C)CC.
What is the InChIKey of N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine?
The InChIKey is WGEMHJSELZKBHZ-MDPINGDNSA-N. The full InChI is InChI=1S/C17H31N/c1-7-15(3)9-12-17(5,6)13-10-16(4)11-14-18-8-2/h8-9,11-12,14-16H,7,10,13H2,1-6H3/b12-9-,14-11-,18-8+/t15-,16?/m1/s1.
What are the key properties of N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine?
N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine has a molecular weight of 249.44 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine is sourced from PubChem (CID 129310260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).