N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine

C15H27N — CID 130183308

IUPACN-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine
SMILESC=C/C(CCC)=C(\N=C)C(CC)CCCC
InChIInChI=1S/C15H27N/c1-6-10-12-14(9-4)15(16-5)13(8-3)11-7-2/h8,14H,3,5-7,9-12H2,1-2,4H3/b15-13+
InChIKeyVRRLHAZHAXENGI-FYWRMAATSA-N
MW221.39 g/mol
LogP5.14
Rot. Bonds9

About N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine

N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine (PubChem CID 130183308) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine
PubChem CID130183308
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine
SMILESC=C/C(CCC)=C(\N=C)C(CC)CCCC
InChIInChI=1S/C15H27N/c1-6-10-12-14(9-4)15(16-5)13(8-3)11-7-2/h8,14H,3,5-7,9-12H2,1-2,4H3/b15-13+
InChIKeyVRRLHAZHAXENGI-FYWRMAATSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine?
The IUPAC name of N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine (CID 130183308) is N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine.
What is the SMILES notation for N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine?
The canonical SMILES for N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine is C=C/C(CCC)=C(\N=C)C(CC)CCCC.
What is the InChIKey of N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine?
The InChIKey is VRRLHAZHAXENGI-FYWRMAATSA-N. The full InChI is InChI=1S/C15H27N/c1-6-10-12-14(9-4)15(16-5)13(8-3)11-7-2/h8,14H,3,5-7,9-12H2,1-2,4H3/b15-13+.
What are the key properties of N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine?
N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine has a molecular weight of 221.39 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine is sourced from PubChem (CID 130183308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).