N-benzylpropan-1-imine

C10H13N — CID 11105513

IUPACN-benzylpropan-1-imine
SMILESCC/C=N/Cc1ccccc1
InChIInChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b11-8+
InChIKeyJEJVKKAYKKSTRU-DHZHZOJOSA-N
MW147.22 g/mol
LogP2.67
Rot. Bonds3

About N-benzylpropan-1-imine

N-benzylpropan-1-imine (PubChem CID 11105513) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-benzylpropan-1-imine.

Molecular Properties

Compound NameN-benzylpropan-1-imine
PubChem CID11105513
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-benzylpropan-1-imine
SMILESCC/C=N/Cc1ccccc1
InChIInChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b11-8+
InChIKeyJEJVKKAYKKSTRU-DHZHZOJOSA-N
XLogP2.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-1-imine?
The IUPAC name of N-benzylpropan-1-imine (CID 11105513) is N-benzylpropan-1-imine.
What is the SMILES notation for N-benzylpropan-1-imine?
The canonical SMILES for N-benzylpropan-1-imine is CC/C=N/Cc1ccccc1.
What is the InChIKey of N-benzylpropan-1-imine?
The InChIKey is JEJVKKAYKKSTRU-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3/b11-8+.
What are the key properties of N-benzylpropan-1-imine?
N-benzylpropan-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-1-imine is sourced from PubChem (CID 11105513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).