(3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine

C19H33N — CID 130374408

IUPAC(3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine
SMILESC=C(CCCCCCC)CC/C(C)=C/C=C\C(C)=N\C
InChIInChI=1S/C19H33N/c1-6-7-8-9-10-12-17(2)15-16-18(3)13-11-14-19(4)20-5/h11,13-14H,2,6-10,12,15-16H2,1,3-5H3/b14-11-,18-13+,20-19+
InChIKeyBVAAJIIRLWMKPT-UHFHCDHOSA-N
MW275.48 g/mol
LogP6.28
Rot. Bonds11

About (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine

(3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine (PubChem CID 130374408) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine
PubChem CID130374408
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine
SMILESC=C(CCCCCCC)CC/C(C)=C/C=C\C(C)=N\C
InChIInChI=1S/C19H33N/c1-6-7-8-9-10-12-17(2)15-16-18(3)13-11-14-19(4)20-5/h11,13-14H,2,6-10,12,15-16H2,1,3-5H3/b14-11-,18-13+,20-19+
InChIKeyBVAAJIIRLWMKPT-UHFHCDHOSA-N
XLogP6.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.28
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-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

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine?
The IUPAC name of (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine (CID 130374408) is (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine?
The canonical SMILES for (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine is C=C(CCCCCCC)CC/C(C)=C/C=C\C(C)=N\C.
What is the InChIKey of (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine?
The InChIKey is BVAAJIIRLWMKPT-UHFHCDHOSA-N. The full InChI is InChI=1S/C19H33N/c1-6-7-8-9-10-12-17(2)15-16-18(3)13-11-14-19(4)20-5/h11,13-14H,2,6-10,12,15-16H2,1,3-5H3/b14-11-,18-13+,20-19+.
What are the key properties of (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine?
(3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine has a molecular weight of 275.48 g/mol, XLogP of 6.28, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N,6-dimethyl-9-methylidenehexadeca-3,5-dien-2-imine is sourced from PubChem (CID 130374408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).