N-butyl-1-(4-methylphenyl)methanimine

C12H17N — CID 525723

IUPACN-butyl-1-(4-methylphenyl)methanimine
SMILESCCCC/N=C/c1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-3-4-9-13-10-12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3/b13-10+
InChIKeyNSSZZXRKKBIESQ-JLHYYAGUSA-N
MW175.28 g/mol
LogP3.21
Rot. Bonds4

About N-butyl-1-(4-methylphenyl)methanimine

N-butyl-1-(4-methylphenyl)methanimine (PubChem CID 525723) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-butyl-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound NameN-butyl-1-(4-methylphenyl)methanimine
PubChem CID525723
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-butyl-1-(4-methylphenyl)methanimine
SMILESCCCC/N=C/c1ccc(C)cc1
InChIInChI=1S/C12H17N/c1-3-4-9-13-10-12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3/b13-10+
InChIKeyNSSZZXRKKBIESQ-JLHYYAGUSA-N
XLogP3.21
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 ≤ 53.21
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-butyl-1-(4-methylphenyl)methanimine?
The IUPAC name of N-butyl-1-(4-methylphenyl)methanimine (CID 525723) is N-butyl-1-(4-methylphenyl)methanimine.
What is the SMILES notation for N-butyl-1-(4-methylphenyl)methanimine?
The canonical SMILES for N-butyl-1-(4-methylphenyl)methanimine is CCCC/N=C/c1ccc(C)cc1.
What is the InChIKey of N-butyl-1-(4-methylphenyl)methanimine?
The InChIKey is NSSZZXRKKBIESQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17N/c1-3-4-9-13-10-12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3/b13-10+.
What are the key properties of N-butyl-1-(4-methylphenyl)methanimine?
N-butyl-1-(4-methylphenyl)methanimine has a molecular weight of 175.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 525723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).