N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine

C20H35N — CID 134185790

IUPACN-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine
SMILESC=C/C=C(\N=C\C=C)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H35N/c1-5-9-11-13-16-19(17-14-12-10-6-2)20(15-7-3)21-18-8-4/h7-8,15,18-19H,3-6,9-14,16-17H2,1-2H3/b20-15-,21-18+
InChIKeyUMZROLFJZIIIKV-HVJKCUCSSA-N
MW289.51 g/mol
LogP6.87
Rot. Bonds14

About N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine

N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine (PubChem CID 134185790) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine
PubChem CID134185790
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine
SMILESC=C/C=C(\N=C\C=C)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H35N/c1-5-9-11-13-16-19(17-14-12-10-6-2)20(15-7-3)21-18-8-4/h7-8,15,18-19H,3-6,9-14,16-17H2,1-2H3/b20-15-,21-18+
InChIKeyUMZROLFJZIIIKV-HVJKCUCSSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine?
The IUPAC name of N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine (CID 134185790) is N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine.
What is the SMILES notation for N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine?
The canonical SMILES for N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine is C=C/C=C(\N=C\C=C)C(CCCCCC)CCCCCC.
What is the InChIKey of N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine?
The InChIKey is UMZROLFJZIIIKV-HVJKCUCSSA-N. The full InChI is InChI=1S/C20H35N/c1-5-9-11-13-16-19(17-14-12-10-6-2)20(15-7-3)21-18-8-4/h7-8,15,18-19H,3-6,9-14,16-17H2,1-2H3/b20-15-,21-18+.
What are the key properties of N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine?
N-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-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-[(3Z)-5-hexylundeca-1,3-dien-4-yl]prop-2-en-1-imine is sourced from PubChem (CID 134185790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).