N-(2-methylpropyl)-1-phenylmethanimine

C11H15N — CID 11805067

IUPACN-(2-methylpropyl)-1-phenylmethanimine
SMILESCC(C)C/N=C/c1ccccc1
InChIInChI=1S/C11H15N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/b12-9+
InChIKeyZZFNBVPVZOECOF-FMIVXFBMSA-N
MW161.25 g/mol
LogP2.76
Rot. Bonds3

About N-(2-methylpropyl)-1-phenylmethanimine

N-(2-methylpropyl)-1-phenylmethanimine (PubChem CID 11805067) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-phenylmethanimine
PubChem CID11805067
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(2-methylpropyl)-1-phenylmethanimine
SMILESCC(C)C/N=C/c1ccccc1
InChIInChI=1S/C11H15N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/b12-9+
InChIKeyZZFNBVPVZOECOF-FMIVXFBMSA-N
XLogP2.76
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 ≤ 52.76
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-(2-methylpropyl)-1-phenylmethanimine?
The IUPAC name of N-(2-methylpropyl)-1-phenylmethanimine (CID 11805067) is N-(2-methylpropyl)-1-phenylmethanimine.
What is the SMILES notation for N-(2-methylpropyl)-1-phenylmethanimine?
The canonical SMILES for N-(2-methylpropyl)-1-phenylmethanimine is CC(C)C/N=C/c1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-1-phenylmethanimine?
The InChIKey is ZZFNBVPVZOECOF-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/b12-9+.
What are the key properties of N-(2-methylpropyl)-1-phenylmethanimine?
N-(2-methylpropyl)-1-phenylmethanimine has a molecular weight of 161.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-phenylmethanimine is sourced from PubChem (CID 11805067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).