N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine

C12H18N2 — CID 14816212

IUPACN-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine
SMILESCc1cc(C)c(/C=N/N(C)C)c(C)c1
InChIInChI=1S/C12H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14(4)5/h6-8H,1-5H3/b13-8+
InChIKeyWKVDXPRYPWIOTK-MDWZMJQESA-N
MW190.29 g/mol
LogP2.51
Rot. Bonds2

About N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine

N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine (PubChem CID 14816212) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine
PubChem CID14816212
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine
SMILESCc1cc(C)c(/C=N/N(C)C)c(C)c1
InChIInChI=1S/C12H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14(4)5/h6-8H,1-5H3/b13-8+
InChIKeyWKVDXPRYPWIOTK-MDWZMJQESA-N
XLogP2.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine (CID 14816212) is N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine is Cc1cc(C)c(/C=N/N(C)C)c(C)c1.
What is the InChIKey of N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine?
The InChIKey is WKVDXPRYPWIOTK-MDWZMJQESA-N. The full InChI is InChI=1S/C12H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14(4)5/h6-8H,1-5H3/b13-8+.
What are the key properties of N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine?
N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine has a molecular weight of 190.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]methanamine is sourced from PubChem (CID 14816212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).