3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide

C9H15N3O — CID 116850307

IUPAC3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
SMILESCN(C)C(=O)CC(N)c1ccc[nH]1
InChIInChI=1S/C9H15N3O/c1-12(2)9(13)6-7(10)8-4-3-5-11-8/h3-5,7,11H,6,10H2,1-2H3
InChIKeyLSYNFQLTMLFWBZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.49
Rot. Bonds3

About 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide

3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide (PubChem CID 116850307) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
PubChem CID116850307
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
SMILESCN(C)C(=O)CC(N)c1ccc[nH]1
InChIInChI=1S/C9H15N3O/c1-12(2)9(13)6-7(10)8-4-3-5-11-8/h3-5,7,11H,6,10H2,1-2H3
InChIKeyLSYNFQLTMLFWBZ-UHFFFAOYSA-N
XLogP0.49
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134
2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
CID 116850119
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide
CID 82075111
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
ethyl (3R)-3-amino-2-fluoro-3-(1H-pyrrol-2-yl)propanoate
CID 171240215
4-amino-3-methyl-4-(1H-pyrrol-2-yl)butanoic acid
CID 116938180
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
3-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 83618663
ethyl (3R)-3-amino-2-fluoro-3-(1H-pyrrol-2-yl)propanoate;hydrochloride
CID 171240216
diethyl 2-[bis(1H-pyrrol-2-yl)methyl]propanedioate
CID 86039346

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide?
The IUPAC name of 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide (CID 116850307) is 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide?
The canonical SMILES for 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide is CN(C)C(=O)CC(N)c1ccc[nH]1.
What is the InChIKey of 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide?
The InChIKey is LSYNFQLTMLFWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12(2)9(13)6-7(10)8-4-3-5-11-8/h3-5,7,11H,6,10H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide?
3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide is sourced from PubChem (CID 116850307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).