N-benzylhexan-1-imine

C13H19N — CID 11816322

IUPACN-benzylhexan-1-imine
SMILESCCCCC/C=N/Cc1ccccc1
InChIInChI=1S/C13H19N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-11H,2-4,8,12H2,1H3/b14-11+
InChIKeySEZBNGSFYXXZHF-SDNWHVSQSA-N
MW189.30 g/mol
LogP3.84
Rot. Bonds6

About N-benzylhexan-1-imine

N-benzylhexan-1-imine (PubChem CID 11816322) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-benzylhexan-1-imine.

Molecular Properties

Compound NameN-benzylhexan-1-imine
PubChem CID11816322
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-benzylhexan-1-imine
SMILESCCCCC/C=N/Cc1ccccc1
InChIInChI=1S/C13H19N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-11H,2-4,8,12H2,1H3/b14-11+
InChIKeySEZBNGSFYXXZHF-SDNWHVSQSA-N
XLogP3.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.84
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-benzylhexan-1-imine?
The IUPAC name of N-benzylhexan-1-imine (CID 11816322) is N-benzylhexan-1-imine.
What is the SMILES notation for N-benzylhexan-1-imine?
The canonical SMILES for N-benzylhexan-1-imine is CCCCC/C=N/Cc1ccccc1.
What is the InChIKey of N-benzylhexan-1-imine?
The InChIKey is SEZBNGSFYXXZHF-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19N/c1-2-3-4-8-11-14-12-13-9-6-5-7-10-13/h5-7,9-11H,2-4,8,12H2,1H3/b14-11+.
What are the key properties of N-benzylhexan-1-imine?
N-benzylhexan-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylhexan-1-imine is sourced from PubChem (CID 11816322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).