N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide

C9H19N3O — CID 62062527

IUPACN-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCC(CN)C1
InChIInChI=1S/C9H19N3O/c1-8(13)11-3-5-12-4-2-9(6-10)7-12/h9H,2-7,10H2,1H3,(H,11,13)
InChIKeyNJJCNKNEMCFZDY-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.60
Rot. Bonds4

About N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide

N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide (PubChem CID 62062527) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide
PubChem CID62062527
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCC(CN)C1
InChIInChI=1S/C9H19N3O/c1-8(13)11-3-5-12-4-2-9(6-10)7-12/h9H,2-7,10H2,1H3,(H,11,13)
InChIKeyNJJCNKNEMCFZDY-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

1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]acetamide
CID 126999485
N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
CID 106672120
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103815424
[1-(2-acetamidoethyl)piperidin-4-yl] acetate
CID 58811218
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
N-[2-[3-(cyclopentylmethylamino)piperidin-1-yl]ethyl]acetamide
CID 83998270

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide (CID 62062527) is N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCC(CN)C1.
What is the InChIKey of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is NJJCNKNEMCFZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8(13)11-3-5-12-4-2-9(6-10)7-12/h9H,2-7,10H2,1H3,(H,11,13).
What are the key properties of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide?
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide 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 N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 62062527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).