2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide

C13H23N3O — CID 66404402

IUPAC2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
SMILESCC(C)CNCc1ccn(CC(C)C(N)=O)c1
InChIInChI=1S/C13H23N3O/c1-10(2)6-15-7-12-4-5-16(9-12)8-11(3)13(14)17/h4-5,9-11,15H,6-8H2,1-3H3,(H2,14,17)
InChIKeyILNCJKIJXJGKPR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.36
Rot. Bonds7

About 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide

2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide (PubChem CID 66404402) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
PubChem CID66404402
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
SMILESCC(C)CNCc1ccn(CC(C)C(N)=O)c1
InChIInChI=1S/C13H23N3O/c1-10(2)6-15-7-12-4-5-16(9-12)8-11(3)13(14)17/h4-5,9-11,15H,6-8H2,1-3H3,(H2,14,17)
InChIKeyILNCJKIJXJGKPR-UHFFFAOYSA-N
XLogP1.36
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(hydroxymethyl)pyrrol-1-yl]-2-methylpropanamide
CID 66397421
2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66406832
2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid
CID 79620778
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
CID 66406621
N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66404189
ethyl 6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanoate
CID 66405802
N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66405210
2-methyl-3-[3-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
CID 66400947
2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 106171242
2,2-dimethyl-6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanenitrile
CID 106713558
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide?
The IUPAC name of 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide (CID 66404402) is 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide.
What is the SMILES notation for 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide?
The canonical SMILES for 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide is CC(C)CNCc1ccn(CC(C)C(N)=O)c1.
What is the InChIKey of 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide?
The InChIKey is ILNCJKIJXJGKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)6-15-7-12-4-5-16(9-12)8-11(3)13(14)17/h4-5,9-11,15H,6-8H2,1-3H3,(H2,14,17).
What are the key properties of 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide?
2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide has a molecular weight of 237.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide is sourced from PubChem (CID 66404402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).