2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide

C12H23N3O — CID 63760499

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCC1CN)C1CC1
InChIInChI=1S/C12H23N3O/c1-2-15(10-5-6-10)12(16)9-14-7-3-4-11(14)8-13/h10-11H,2-9,13H2,1H3
InChIKeyGPAVGJUOMPZQOC-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds5

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide (PubChem CID 63760499) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
PubChem CID63760499
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCC1CN)C1CC1
InChIInChI=1S/C12H23N3O/c1-2-15(10-5-6-10)12(16)9-14-7-3-4-11(14)8-13/h10-11H,2-9,13H2,1H3
InChIKeyGPAVGJUOMPZQOC-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 55243372
N-cyclopropyl-N-ethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547130
N-cyclopropyl-N-ethyl-2-[2-(2-hydroxypropyl)piperidin-1-yl]acetamide
CID 114338146
N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942251
2-[2-(aminomethyl)piperidin-1-yl]-N,N-diethylacetamide;hydrochloride
CID 120869605
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 81493466
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide
CID 103441903
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
CID 119916251
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 61488497
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide (CID 63760499) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN1CCCC1CN)C1CC1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is GPAVGJUOMPZQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-15(10-5-6-10)12(16)9-14-7-3-4-11(14)8-13/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 63760499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).