3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide

C10H21N3O — CID 43090000

IUPAC3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
SMILESCCN1CCCC1CNCCC(N)=O
InChIInChI=1S/C10H21N3O/c1-2-13-7-3-4-9(13)8-12-6-5-10(11)14/h9,12H,2-8H2,1H3,(H2,11,14)
InChIKeyGZSVEKAQCBVHKA-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.06
Rot. Bonds6

About 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide

3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide (PubChem CID 43090000) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
PubChem CID43090000
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
SMILESCCN1CCCC1CNCCC(N)=O
InChIInChI=1S/C10H21N3O/c1-2-13-7-3-4-9(13)8-12-6-5-10(11)14/h9,12H,2-8H2,1H3,(H2,11,14)
InChIKeyGZSVEKAQCBVHKA-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 142254760
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041
N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
CID 43180030
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961368
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
4-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methylbut-2-enoic acid
CID 103236006
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-cyclopropyl-N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]acetamide
CID 54957535
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide (CID 43090000) is 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide is CCN1CCCC1CNCCC(N)=O.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide?
The InChIKey is GZSVEKAQCBVHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-13-7-3-4-9(13)8-12-6-5-10(11)14/h9,12H,2-8H2,1H3,(H2,11,14).
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide?
3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide has a molecular weight of 199.30 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide is sourced from PubChem (CID 43090000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).