3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide

C13H21N3O — CID 106914482

IUPAC3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cccc(CN)c1
InChIInChI=1S/C13H21N3O/c1-10(13(17)15-2)9-16(3)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyZXGNABPJIOWTAA-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.96
Rot. Bonds5

About 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide

3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide (PubChem CID 106914482) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
PubChem CID106914482
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cccc(CN)c1
InChIInChI=1S/C13H21N3O/c1-10(13(17)15-2)9-16(3)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyZXGNABPJIOWTAA-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(aminomethyl)phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 106916934
2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide
CID 62970312
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide
CID 62970139
(2R)-3-[(5-amino-3-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124681136
3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106914478
3-[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916395
(2R)-3-[[3-[ethyl(methyl)amino]phenyl]carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569659
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
N,2-dimethyl-3-[methyl-(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 106918884
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914891

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide (CID 106914482) is 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1cccc(CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide?
The InChIKey is ZXGNABPJIOWTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(13(17)15-2)9-16(3)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide?
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).