N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine

C15H21N — CID 91376180

IUPACN-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine
SMILESCCCc1cccc(C=C(C)C)c1/C=N/C
InChIInChI=1S/C15H21N/c1-5-7-13-8-6-9-14(10-12(2)3)15(13)11-16-4/h6,8-11H,5,7H2,1-4H3/b16-11+
InChIKeyFQWLAAXHVVQHOA-LFIBNONCSA-N
MW215.34 g/mol
LogP4.11
Rot. Bonds4

About N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine

N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine (PubChem CID 91376180) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine
PubChem CID91376180
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine
SMILESCCCc1cccc(C=C(C)C)c1/C=N/C
InChIInChI=1S/C15H21N/c1-5-7-13-8-6-9-14(10-12(2)3)15(13)11-16-4/h6,8-11H,5,7H2,1-4H3/b16-11+
InChIKeyFQWLAAXHVVQHOA-LFIBNONCSA-N
XLogP4.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.11
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-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine?
The IUPAC name of N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine (CID 91376180) is N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine.
What is the SMILES notation for N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine?
The canonical SMILES for N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine is CCCc1cccc(C=C(C)C)c1/C=N/C.
What is the InChIKey of N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine?
The InChIKey is FQWLAAXHVVQHOA-LFIBNONCSA-N. The full InChI is InChI=1S/C15H21N/c1-5-7-13-8-6-9-14(10-12(2)3)15(13)11-16-4/h6,8-11H,5,7H2,1-4H3/b16-11+.
What are the key properties of N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine?
N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine has a molecular weight of 215.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylprop-1-enyl)-6-propylphenyl]methanimine is sourced from PubChem (CID 91376180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).