4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide

C13H23N3O — CID 115157136

IUPAC4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
SMILESCN(CCc1cc[nH]c1)C(=O)C(C)(C)CCN
InChIInChI=1S/C13H23N3O/c1-13(2,6-7-14)12(17)16(3)9-5-11-4-8-15-10-11/h4,8,10,15H,5-7,9,14H2,1-3H3
InChIKeyMDQMWRFRPLGJIJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.39
Rot. Bonds6

About 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide

4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide (PubChem CID 115157136) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
PubChem CID115157136
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
SMILESCN(CCc1cc[nH]c1)C(=O)C(C)(C)CCN
InChIInChI=1S/C13H23N3O/c1-13(2,6-7-14)12(17)16(3)9-5-11-4-8-15-10-11/h4,8,10,15H,5-7,9,14H2,1-3H3
InChIKeyMDQMWRFRPLGJIJ-UHFFFAOYSA-N
XLogP1.39
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115175244
4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
CID 115157141
2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115180157
4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115163151
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl]butanoic acid
CID 115186091
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
4-amino-2,2-dimethyl-N-(1H-pyrrol-3-yl)butanamide
CID 115156893
4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
CID 117039305
methyl 2,2-dimethyl-3-(1H-pyrrol-3-yl)propanoate
CID 116927561
1,3-dimethyl-1-(1H-pyrrol-3-ylmethyl)urea
CID 115169243
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
CID 115223392
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115213082

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide (CID 115157136) is 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide is CN(CCc1cc[nH]c1)C(=O)C(C)(C)CCN.
What is the InChIKey of 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
The InChIKey is MDQMWRFRPLGJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,6-7-14)12(17)16(3)9-5-11-4-8-15-10-11/h4,8,10,15H,5-7,9,14H2,1-3H3.
What are the key properties of 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide?
4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide has a molecular weight of 237.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide is sourced from PubChem (CID 115157136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).