2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide

C9H19N3O — CID 114802503

IUPAC2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(CCN)C1
InChIInChI=1S/C9H19N3O/c1-11-9(13)7-12-5-3-8(6-12)2-4-10/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyXSHHSNXNBQVBJZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.60
Rot. Bonds4

About 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide

2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 114802503) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID114802503
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(CCN)C1
InChIInChI=1S/C9H19N3O/c1-11-9(13)7-12-5-3-8(6-12)2-4-10/h8H,2-7,10H2,1H3,(H,11,13)
InChIKeyXSHHSNXNBQVBJZ-UHFFFAOYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 114802680
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 114802649
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
2-(3-ethyl-4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 114511071
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
2-[3-(2-aminoethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63763892
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide (CID 114802503) is 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(CCN)C1.
What is the InChIKey of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is XSHHSNXNBQVBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-9(13)7-12-5-3-8(6-12)2-4-10/h8H,2-7,10H2,1H3,(H,11,13).
What are the key properties of 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide?
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 185.27 g/mol, XLogP of -0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 114802503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).