2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine

C13H19N — CID 12980054

IUPAC2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
SMILESCc1cc(C)c(/N=C/C(C)C)c(C)c1
InChIInChI=1S/C13H19N/c1-9(2)8-14-13-11(4)6-10(3)7-12(13)5/h6-9H,1-5H3/b14-8+
InChIKeyMXSRYMOLSMWCGL-RIYZIHGNSA-N
MW189.30 g/mol
LogP3.97
Rot. Bonds2

About 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine

2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine (PubChem CID 12980054) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
PubChem CID12980054
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
SMILESCc1cc(C)c(/N=C/C(C)C)c(C)c1
InChIInChI=1S/C13H19N/c1-9(2)8-14-13-11(4)6-10(3)7-12(13)5/h6-9H,1-5H3/b14-8+
InChIKeyMXSRYMOLSMWCGL-RIYZIHGNSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.97
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 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
The IUPAC name of 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine (CID 12980054) is 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine.
What is the SMILES notation for 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
The canonical SMILES for 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine is Cc1cc(C)c(/N=C/C(C)C)c(C)c1.
What is the InChIKey of 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
The InChIKey is MXSRYMOLSMWCGL-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)8-14-13-11(4)6-10(3)7-12(13)5/h6-9H,1-5H3/b14-8+.
What are the key properties of 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine?
2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine is sourced from PubChem (CID 12980054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).