3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide

C10H17N3O — CID 115153081

IUPAC3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
SMILESCN(CCc1ccc[nH]1)C(=O)CCN
InChIInChI=1S/C10H17N3O/c1-13(10(14)4-6-11)8-5-9-3-2-7-12-9/h2-3,7,12H,4-6,8,11H2,1H3
InChIKeyXPWBOEXLCFCDQU-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.36
Rot. Bonds5

About 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide

3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide (PubChem CID 115153081) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
PubChem CID115153081
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
SMILESCN(CCc1ccc[nH]1)C(=O)CCN
InChIInChI=1S/C10H17N3O/c1-13(10(14)4-6-11)8-5-9-3-2-7-12-9/h2-3,7,12H,4-6,8,11H2,1H3
InChIKeyXPWBOEXLCFCDQU-UHFFFAOYSA-N
XLogP0.36
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162696
4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
CID 115156814
4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115156483
2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115186753
3-amino-4-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181349
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
N-methyl-2-morpholin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115178159
2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid
CID 67686258
2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115258110
methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
CID 117043502
N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
CID 115205056
1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115196941

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide (CID 115153081) is 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide is CN(CCc1ccc[nH]1)C(=O)CCN.
What is the InChIKey of 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide?
The InChIKey is XPWBOEXLCFCDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13(10(14)4-6-11)8-5-9-3-2-7-12-9/h2-3,7,12H,4-6,8,11H2,1H3.
What are the key properties of 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide?
3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide has a molecular weight of 195.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide is sourced from PubChem (CID 115153081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).