methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate

C15H22N2O2 — CID 18738662

IUPACmethyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate
SMILESCOC(=O)c1c(C)c(C)c(C)c(C)c1/N=C/N(C)C
InChIInChI=1S/C15H22N2O2/c1-9-10(2)12(4)14(16-8-17(5)6)13(11(9)3)15(18)19-7/h8H,1-7H3/b16-8+
InChIKeyUPGLCUIZROCGQD-LZYBPNLTSA-N
MW262.35 g/mol
LogP2.93
Rot. Bonds3

About methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate

methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate (PubChem CID 18738662) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate.

Molecular Properties

Compound Namemethyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate
PubChem CID18738662
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate
SMILESCOC(=O)c1c(C)c(C)c(C)c(C)c1/N=C/N(C)C
InChIInChI=1S/C15H22N2O2/c1-9-10(2)12(4)14(16-8-17(5)6)13(11(9)3)15(18)19-7/h8H,1-7H3/b16-8+
InChIKeyUPGLCUIZROCGQD-LZYBPNLTSA-N
XLogP2.93
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl 4,5,6-trimethylbenzene-1,2,3-tricarboxylate
CID 58142568
methyl 4-chloro-2-(dimethylaminomethylideneamino)pyridine-3-carboxylate
CID 177042843
methyl 2-bromo-3,4,5,6-tetramethylbenzoate
CID 617466
methyl 2-(dimethylaminomethylideneamino)-3-(fluoromethoxy)benzoate
CID 157040710
methyl 2-(dimethylaminomethylideneamino)-4,5-dimethoxybenzoate
CID 163275550
methyl 3-(dimethylaminomethylideneamino)-4-(4-methoxyphenyl)thiophene-2-carboxylate
CID 75466311
methyl 2,5-dichloro-3-(dimethylaminomethylideneamino)benzoate
CID 91733961
methyl 3-bromo-4-(dimethylaminomethylideneamino)benzoate
CID 177254456
methyl 2-(dimethylaminomethylideneamino)-4-methoxybenzoate
CID 163274673
methyl 4-(cyclopentylmethyl)-3-(dimethylaminomethylideneamino)-1H-pyrrole-2-carboxylate
CID 10084893
N'-(2-cyano-3,4,5,6-tetramethylphenyl)-N,N-dimethylmethanimidamide
CID 20666593
methyl 2-(dimethylaminomethylideneamino)-6,7-dimethoxyquinoline-3-carboxylate
CID 69372859

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate?
The IUPAC name of methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate (CID 18738662) is methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate.
What is the SMILES notation for methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate?
The canonical SMILES for methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate is COC(=O)c1c(C)c(C)c(C)c(C)c1/N=C/N(C)C.
What is the InChIKey of methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate?
The InChIKey is UPGLCUIZROCGQD-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-10(2)12(4)14(16-8-17(5)6)13(11(9)3)15(18)19-7/h8H,1-7H3/b16-8+.
What are the key properties of methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate?
methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate has a molecular weight of 262.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylaminomethylideneamino)-3,4,5,6-tetramethylbenzoate is sourced from PubChem (CID 18738662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).