2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide

C12H21N3O — CID 66397673

IUPAC2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccn(C)c1
InChIInChI=1S/C12H21N3O/c1-4-6-13-12(16)10(2)14-8-11-5-7-15(3)9-11/h5,7,9-10,14H,4,6,8H2,1-3H3,(H,13,16)
InChIKeyYKJOWISJNABNSX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.03
Rot. Bonds6

About 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide

2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide (PubChem CID 66397673) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
PubChem CID66397673
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccn(C)c1
InChIInChI=1S/C12H21N3O/c1-4-6-13-12(16)10(2)14-8-11-5-7-15(3)9-11/h5,7,9-10,14H,4,6,8H2,1-3H3,(H,13,16)
InChIKeyYKJOWISJNABNSX-UHFFFAOYSA-N
XLogP1.03
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103872075
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide
CID 115868089
2-[(4-iodophenyl)methylamino]-N-propylpropanamide
CID 65477779
3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397923
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide
CID 61068547
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 115867956

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide (CID 66397673) is 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccn(C)c1.
What is the InChIKey of 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide?
The InChIKey is YKJOWISJNABNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-13-12(16)10(2)14-8-11-5-7-15(3)9-11/h5,7,9-10,14H,4,6,8H2,1-3H3,(H,13,16).
What are the key properties of 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide?
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 66397673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).