N-(2-methylbutyl)-1-phenylmethanimine

C12H17N — CID 146684646

IUPACN-(2-methylbutyl)-1-phenylmethanimine
SMILESCCC(C)C/N=C/c1ccccc1
InChIInChI=1S/C12H17N/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3/b13-10+
InChIKeyARMYZUQBESKUNP-JLHYYAGUSA-N
MW175.28 g/mol
LogP3.15
Rot. Bonds4

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

N-(2-methylbutyl)-1-phenylmethanimine (PubChem CID 146684646) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-(2-methylbutyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2-methylbutyl)-1-phenylmethanimine
PubChem CID146684646
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-(2-methylbutyl)-1-phenylmethanimine
SMILESCCC(C)C/N=C/c1ccccc1
InChIInChI=1S/C12H17N/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3/b13-10+
InChIKeyARMYZUQBESKUNP-JLHYYAGUSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.15
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-methylbutyl)-1-phenylmethanimine?
The IUPAC name of N-(2-methylbutyl)-1-phenylmethanimine (CID 146684646) is N-(2-methylbutyl)-1-phenylmethanimine.
What is the SMILES notation for N-(2-methylbutyl)-1-phenylmethanimine?
The canonical SMILES for N-(2-methylbutyl)-1-phenylmethanimine is CCC(C)C/N=C/c1ccccc1.
What is the InChIKey of N-(2-methylbutyl)-1-phenylmethanimine?
The InChIKey is ARMYZUQBESKUNP-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17N/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3/b13-10+.
What are the key properties of N-(2-methylbutyl)-1-phenylmethanimine?
N-(2-methylbutyl)-1-phenylmethanimine has a molecular weight of 175.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-1-phenylmethanimine is sourced from PubChem (CID 146684646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).