4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide

C13H23N3O — CID 115155852

IUPAC4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
SMILESCNCCCC(=O)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C13H23N3O/c1-13(2,11-6-8-15-9-11)10-16-12(17)5-4-7-14-3/h6,8-9,14-15H,4-5,7,10H2,1-3H3,(H,16,17)
InChIKeyRKTSCNHAUWOYIB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.41
Rot. Bonds7

About 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide

4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide (PubChem CID 115155852) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
PubChem CID115155852
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
SMILESCNCCCC(=O)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C13H23N3O/c1-13(2,11-6-8-15-9-11)10-16-12(17)5-4-7-14-3/h6,8-9,14-15H,4-5,7,10H2,1-3H3,(H,16,17)
InChIKeyRKTSCNHAUWOYIB-UHFFFAOYSA-N
XLogP1.41
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115179044
methyl 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoate
CID 115233545
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
3,3-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]-4-oxobutanoic acid
CID 115164919
2,2-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoic acid
CID 115221241
3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187811
2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187443
2-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]carbamoyl]butanoic acid
CID 115186116
3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115153925
1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
CID 115133067

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide (CID 115155852) is 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide is CNCCCC(=O)NCC(C)(C)c1cc[nH]c1.
What is the InChIKey of 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
The InChIKey is RKTSCNHAUWOYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,11-6-8-15-9-11)10-16-12(17)5-4-7-14-3/h6,8-9,14-15H,4-5,7,10H2,1-3H3,(H,16,17).
What are the key properties of 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide has a molecular weight of 237.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide is sourced from PubChem (CID 115155852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).