2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone

C14H21N3O — CID 62969965

IUPAC2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1cccc(CN)c1
InChIInChI=1S/C14H21N3O/c1-16(11-14(18)17-7-2-3-8-17)13-6-4-5-12(9-13)10-15/h4-6,9H,2-3,7-8,10-11,15H2,1H3
InChIKeyOJSJJJOWJHZILG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.20
Rot. Bonds4

About 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone

2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone (PubChem CID 62969965) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
PubChem CID62969965
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1cccc(CN)c1
InChIInChI=1S/C14H21N3O/c1-16(11-14(18)17-7-2-3-8-17)13-6-4-5-12(9-13)10-15/h4-6,9H,2-3,7-8,10-11,15H2,1H3
InChIKeyOJSJJJOWJHZILG-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
CID 79155347
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-1-(azepan-1-yl)ethanone
CID 60922094
2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
1-(azepan-1-yl)-2-(3,4-difluoro-N-methylanilino)ethanone
CID 60572912
2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61440357
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61441999
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 79670313
2-fluoro-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzenecarbothioamide
CID 115368032
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone (CID 62969965) is 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone?
The InChIKey is OJSJJJOWJHZILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(11-14(18)17-7-2-3-8-17)13-6-4-5-12(9-13)10-15/h4-6,9H,2-3,7-8,10-11,15H2,1H3.
What are the key properties of 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone?
2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone has a molecular weight of 247.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 62969965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).