N-heptylheptan-1-imine

C14H29N — CID 13262439

IUPACN-heptylheptan-1-imine
SMILESCCCCCC/C=N/CCCCCCC
InChIInChI=1S/C14H29N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h13H,3-12,14H2,1-2H3/b15-13+
InChIKeyJHBIVZTZLHIOBD-FYWRMAATSA-N
MW211.39 g/mol
LogP5.00
Rot. Bonds11

About N-heptylheptan-1-imine

N-heptylheptan-1-imine (PubChem CID 13262439) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-heptylheptan-1-imine.

Molecular Properties

Compound NameN-heptylheptan-1-imine
PubChem CID13262439
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-heptylheptan-1-imine
SMILESCCCCCC/C=N/CCCCCCC
InChIInChI=1S/C14H29N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h13H,3-12,14H2,1-2H3/b15-13+
InChIKeyJHBIVZTZLHIOBD-FYWRMAATSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 55.00
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-heptylheptan-1-imine?
The IUPAC name of N-heptylheptan-1-imine (CID 13262439) is N-heptylheptan-1-imine.
What is the SMILES notation for N-heptylheptan-1-imine?
The canonical SMILES for N-heptylheptan-1-imine is CCCCCC/C=N/CCCCCCC.
What is the InChIKey of N-heptylheptan-1-imine?
The InChIKey is JHBIVZTZLHIOBD-FYWRMAATSA-N. The full InChI is InChI=1S/C14H29N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h13H,3-12,14H2,1-2H3/b15-13+.
What are the key properties of N-heptylheptan-1-imine?
N-heptylheptan-1-imine has a molecular weight of 211.39 g/mol, XLogP of 5.00, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylheptan-1-imine is sourced from PubChem (CID 13262439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).