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

C16H27N — CID 134185805

IUPACN-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine
SMILESC=C/C=C(\N=C\C=C)C(CC)CCCCCC
InChIInChI=1S/C16H27N/c1-5-9-10-11-13-15(8-4)16(12-6-2)17-14-7-3/h6-7,12,14-15H,2-3,5,8-11,13H2,1,4H3/b16-12-,17-14+
InChIKeyRUTVFNSXHCYWLF-CCMYLADUSA-N
MW233.40 g/mol
LogP5.31
Rot. Bonds10

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

N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine (PubChem CID 134185805) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine
PubChem CID134185805
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine
SMILESC=C/C=C(\N=C\C=C)C(CC)CCCCCC
InChIInChI=1S/C16H27N/c1-5-9-10-11-13-15(8-4)16(12-6-2)17-14-7-3/h6-7,12,14-15H,2-3,5,8-11,13H2,1,4H3/b16-12-,17-14+
InChIKeyRUTVFNSXHCYWLF-CCMYLADUSA-N
XLogP5.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.31
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-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine?
The IUPAC name of N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine (CID 134185805) is N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine.
What is the SMILES notation for N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine?
The canonical SMILES for N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine is C=C/C=C(\N=C\C=C)C(CC)CCCCCC.
What is the InChIKey of N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine?
The InChIKey is RUTVFNSXHCYWLF-CCMYLADUSA-N. The full InChI is InChI=1S/C16H27N/c1-5-9-10-11-13-15(8-4)16(12-6-2)17-14-7-3/h6-7,12,14-15H,2-3,5,8-11,13H2,1,4H3/b16-12-,17-14+.
What are the key properties of N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine?
N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine has a molecular weight of 233.40 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-ethylundeca-1,3-dien-4-yl]prop-2-en-1-imine is sourced from PubChem (CID 134185805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).