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

C12H21N3O — CID 115156483

IUPAC4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
SMILESCC(CN)CC(=O)N(C)CCc1ccc[nH]1
InChIInChI=1S/C12H21N3O/c1-10(9-13)8-12(16)15(2)7-5-11-4-3-6-14-11/h3-4,6,10,14H,5,7-9,13H2,1-2H3
InChIKeyDIUREGUCGAYGFC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.00
Rot. Bonds6

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

4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide (PubChem CID 115156483) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
PubChem CID115156483
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
SMILESCC(CN)CC(=O)N(C)CCc1ccc[nH]1
InChIInChI=1S/C12H21N3O/c1-10(9-13)8-12(16)15(2)7-5-11-4-3-6-14-11/h3-4,6,10,14H,5,7-9,13H2,1-2H3
InChIKeyDIUREGUCGAYGFC-UHFFFAOYSA-N
XLogP1.00
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115153081
4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
CID 115156814
3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162696
3-amino-4-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181349
2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
CID 116924952
2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115186753
4-amino-N-[2-(2,4-dimethylphenyl)ethyl]-N,3-dimethylbutanamide
CID 115156481
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115196941
N-methyl-2-morpholin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115178159
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 81070310

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide (CID 115156483) is 4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide is CC(CN)CC(=O)N(C)CCc1ccc[nH]1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide?
The InChIKey is DIUREGUCGAYGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(9-13)8-12(16)15(2)7-5-11-4-3-6-14-11/h3-4,6,10,14H,5,7-9,13H2,1-2H3.
What are the key properties of 4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide?
4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide has a molecular weight of 223.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide is sourced from PubChem (CID 115156483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).