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

C8H17N3O — CID 23450282

IUPACN-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCN)C1
InChIInChI=1S/C8H17N3O/c1-7(12)10-8-2-4-11(6-8)5-3-9/h8H,2-6,9H2,1H3,(H,10,12)
InChIKeyNKNKAXVZBNGAAZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.84
Rot. Bonds3

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

N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide (PubChem CID 23450282) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
PubChem CID23450282
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(CCN)C1
InChIInChI=1S/C8H17N3O/c1-7(12)10-8-2-4-11(6-8)5-3-9/h8H,2-6,9H2,1H3,(H,10,12)
InChIKeyNKNKAXVZBNGAAZ-UHFFFAOYSA-N
XLogP-0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-oxopropyl)pyrrolidin-3-yl]acetamide
CID 58937983
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide
CID 144757888
N-[1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)pyrrolidin-3-yl]acetamide
CID 113402653
N-[1-(2-iodoethyl)piperidin-4-yl]acetamide
CID 126991191
N-[1-(2-aminoethyl)piperidin-4-yl]-4-methylpiperidine-1-carboxamide
CID 79160685
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
N-[1-(4-amino-2,2-dimethylbutyl)piperidin-4-yl]acetamide;ethane
CID 144757887
benzyl N-[1-(2-aminoethyl)pyrrolidin-3-yl]carbamate
CID 66566535
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide
CID 86842614

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide (CID 23450282) is N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(CCN)C1.
What is the InChIKey of N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is NKNKAXVZBNGAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(12)10-8-2-4-11(6-8)5-3-9/h8H,2-6,9H2,1H3,(H,10,12).
What are the key properties of N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide?
N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 171.24 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 23450282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).