N-benzyl-2-methylpropan-1-imine

C11H15N — CID 3505229

IUPACN-benzyl-2-methylpropan-1-imine
SMILESCC(C)/C=N/Cc1ccccc1
InChIInChI=1S/C11H15N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3/b12-8+
InChIKeyRBDNYMZMECTVGV-XYOKQWHBSA-N
MW161.25 g/mol
LogP2.91
Rot. Bonds3

About N-benzyl-2-methylpropan-1-imine

N-benzyl-2-methylpropan-1-imine (PubChem CID 3505229) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-benzyl-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-benzyl-2-methylpropan-1-imine
PubChem CID3505229
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-benzyl-2-methylpropan-1-imine
SMILESCC(C)/C=N/Cc1ccccc1
InChIInChI=1S/C11H15N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3/b12-8+
InChIKeyRBDNYMZMECTVGV-XYOKQWHBSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.91
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-benzyl-2-methylpropan-1-imine?
The IUPAC name of N-benzyl-2-methylpropan-1-imine (CID 3505229) is N-benzyl-2-methylpropan-1-imine.
What is the SMILES notation for N-benzyl-2-methylpropan-1-imine?
The canonical SMILES for N-benzyl-2-methylpropan-1-imine is CC(C)/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-2-methylpropan-1-imine?
The InChIKey is RBDNYMZMECTVGV-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3/b12-8+.
What are the key properties of N-benzyl-2-methylpropan-1-imine?
N-benzyl-2-methylpropan-1-imine has a molecular weight of 161.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylpropan-1-imine is sourced from PubChem (CID 3505229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).