N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine

C15H21N — CID 100996603

IUPACN-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine
SMILESCCCC/N=C/c1ccccc1C=C(C)C
InChIInChI=1S/C15H21N/c1-4-5-10-16-12-15-9-7-6-8-14(15)11-13(2)3/h6-9,11-12H,4-5,10H2,1-3H3/b16-12+
InChIKeyCSILOFDAGJIVSG-FOWTUZBSSA-N
MW215.34 g/mol
LogP4.33
Rot. Bonds5

About N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine

N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine (PubChem CID 100996603) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine.

Molecular Properties

Compound NameN-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine
PubChem CID100996603
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine
SMILESCCCC/N=C/c1ccccc1C=C(C)C
InChIInChI=1S/C15H21N/c1-4-5-10-16-12-15-9-7-6-8-14(15)11-13(2)3/h6-9,11-12H,4-5,10H2,1-3H3/b16-12+
InChIKeyCSILOFDAGJIVSG-FOWTUZBSSA-N
XLogP4.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.33
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-[2-(2-methylprop-1-enyl)phenyl]methanimine?
The IUPAC name of N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine (CID 100996603) is N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine.
What is the SMILES notation for N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine?
The canonical SMILES for N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine is CCCC/N=C/c1ccccc1C=C(C)C.
What is the InChIKey of N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine?
The InChIKey is CSILOFDAGJIVSG-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H21N/c1-4-5-10-16-12-15-9-7-6-8-14(15)11-13(2)3/h6-9,11-12H,4-5,10H2,1-3H3/b16-12+.
What are the key properties of N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine?
N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine has a molecular weight of 215.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(2-methylprop-1-enyl)phenyl]methanimine is sourced from PubChem (CID 100996603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).