2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide

C15H25N3O — CID 62970312

IUPAC2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(C)c1cccc(CN)c1
InChIInChI=1S/C15H25N3O/c1-11(2)10-17-15(19)12(3)18(4)14-7-5-6-13(8-14)9-16/h5-8,11-12H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyYHVLYNZPLMTFOA-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.74
Rot. Bonds6

About 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide

2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide (PubChem CID 62970312) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide
PubChem CID62970312
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(C)c1cccc(CN)c1
InChIInChI=1S/C15H25N3O/c1-11(2)10-17-15(19)12(3)18(4)14-7-5-6-13(8-14)9-16/h5-8,11-12H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyYHVLYNZPLMTFOA-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-N-methylanilino]-N-pentan-2-ylpropanamide
CID 62970139
2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
CID 61295832
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide
CID 62983295
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-benzyl-2-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]propanamide
CID 133148930
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-(3-methoxypropyl)propanamide
CID 43248778
(2S)-2-[(3-bromophenyl)methyl-propanoylamino]-N-(2-methylpropyl)propanamide
CID 100730978
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
CID 79155347
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 43458328

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide (CID 62970312) is 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N(C)c1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide?
The InChIKey is YHVLYNZPLMTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)10-17-15(19)12(3)18(4)14-7-5-6-13(8-14)9-16/h5-8,11-12H,9-10,16H2,1-4H3,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide?
2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 62970312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).