N-hept-4-en-2-yloctan-1-imine

C15H29N — CID 57114269

IUPACN-hept-4-en-2-yloctan-1-imine
SMILESCCC=CCC(C)/N=C/CCCCCCC
InChIInChI=1S/C15H29N/c1-4-6-8-9-10-12-14-16-15(3)13-11-7-5-2/h7,11,14-15H,4-6,8-10,12-13H2,1-3H3/b11-7?,16-14+
InChIKeyHNEGYHNULOPGOI-VEKLCGSHSA-N
MW223.40 g/mol
LogP5.16
Rot. Bonds10

About N-hept-4-en-2-yloctan-1-imine

N-hept-4-en-2-yloctan-1-imine (PubChem CID 57114269) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-hept-4-en-2-yloctan-1-imine.

Molecular Properties

Compound NameN-hept-4-en-2-yloctan-1-imine
PubChem CID57114269
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-hept-4-en-2-yloctan-1-imine
SMILESCCC=CCC(C)/N=C/CCCCCCC
InChIInChI=1S/C15H29N/c1-4-6-8-9-10-12-14-16-15(3)13-11-7-5-2/h7,11,14-15H,4-6,8-10,12-13H2,1-3H3/b11-7?,16-14+
InChIKeyHNEGYHNULOPGOI-VEKLCGSHSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.16
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hept-4-en-2-yloctan-1-imine?
The IUPAC name of N-hept-4-en-2-yloctan-1-imine (CID 57114269) is N-hept-4-en-2-yloctan-1-imine.
What is the SMILES notation for N-hept-4-en-2-yloctan-1-imine?
The canonical SMILES for N-hept-4-en-2-yloctan-1-imine is CCC=CCC(C)/N=C/CCCCCCC.
What is the InChIKey of N-hept-4-en-2-yloctan-1-imine?
The InChIKey is HNEGYHNULOPGOI-VEKLCGSHSA-N. The full InChI is InChI=1S/C15H29N/c1-4-6-8-9-10-12-14-16-15(3)13-11-7-5-2/h7,11,14-15H,4-6,8-10,12-13H2,1-3H3/b11-7?,16-14+.
What are the key properties of N-hept-4-en-2-yloctan-1-imine?
N-hept-4-en-2-yloctan-1-imine has a molecular weight of 223.40 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-4-en-2-yloctan-1-imine is sourced from PubChem (CID 57114269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).