N-hept-1-enylheptan-1-imine

C14H27N — CID 91048699

IUPACN-hept-1-enylheptan-1-imine
SMILESCCCCCC=C/N=C/CCCCCC
InChIInChI=1S/C14H27N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h11,13-14H,3-10,12H2,1-2H3/b13-11?,15-14+
InChIKeyTWCFEBRYJDAZLW-RERVGVTLSA-N
MW209.38 g/mol
LogP5.12
Rot. Bonds10

About N-hept-1-enylheptan-1-imine

N-hept-1-enylheptan-1-imine (PubChem CID 91048699) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-hept-1-enylheptan-1-imine.

Molecular Properties

Compound NameN-hept-1-enylheptan-1-imine
PubChem CID91048699
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-hept-1-enylheptan-1-imine
SMILESCCCCCC=C/N=C/CCCCCC
InChIInChI=1S/C14H27N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h11,13-14H,3-10,12H2,1-2H3/b13-11?,15-14+
InChIKeyTWCFEBRYJDAZLW-RERVGVTLSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.38
LogP ≤ 55.12
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hept-1-enylheptan-1-imine?
The IUPAC name of N-hept-1-enylheptan-1-imine (CID 91048699) is N-hept-1-enylheptan-1-imine.
What is the SMILES notation for N-hept-1-enylheptan-1-imine?
The canonical SMILES for N-hept-1-enylheptan-1-imine is CCCCCC=C/N=C/CCCCCC.
What is the InChIKey of N-hept-1-enylheptan-1-imine?
The InChIKey is TWCFEBRYJDAZLW-RERVGVTLSA-N. The full InChI is InChI=1S/C14H27N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h11,13-14H,3-10,12H2,1-2H3/b13-11?,15-14+.
What are the key properties of N-hept-1-enylheptan-1-imine?
N-hept-1-enylheptan-1-imine has a molecular weight of 209.38 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-1-enylheptan-1-imine is sourced from PubChem (CID 91048699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).