N-benzylpentan-1-imine

C12H17N — CID 14522165

IUPACN-benzylpentan-1-imine
SMILESCCCC/C=N/Cc1ccccc1
InChIInChI=1S/C12H17N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h4-6,8-10H,2-3,7,11H2,1H3/b13-10+
InChIKeyGHSTZYFNMLQNQU-JLHYYAGUSA-N
MW175.28 g/mol
LogP3.45
Rot. Bonds5

About N-benzylpentan-1-imine

N-benzylpentan-1-imine (PubChem CID 14522165) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-benzylpentan-1-imine.

Molecular Properties

Compound NameN-benzylpentan-1-imine
PubChem CID14522165
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-benzylpentan-1-imine
SMILESCCCC/C=N/Cc1ccccc1
InChIInChI=1S/C12H17N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h4-6,8-10H,2-3,7,11H2,1H3/b13-10+
InChIKeyGHSTZYFNMLQNQU-JLHYYAGUSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.45
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-benzylpentan-1-imine?
The IUPAC name of N-benzylpentan-1-imine (CID 14522165) is N-benzylpentan-1-imine.
What is the SMILES notation for N-benzylpentan-1-imine?
The canonical SMILES for N-benzylpentan-1-imine is CCCC/C=N/Cc1ccccc1.
What is the InChIKey of N-benzylpentan-1-imine?
The InChIKey is GHSTZYFNMLQNQU-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h4-6,8-10H,2-3,7,11H2,1H3/b13-10+.
What are the key properties of N-benzylpentan-1-imine?
N-benzylpentan-1-imine has a molecular weight of 175.28 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpentan-1-imine is sourced from PubChem (CID 14522165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).