2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide

C14H27N3O — CID 55243372

IUPAC2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCC1CCCN)C1CC1
InChIInChI=1S/C14H27N3O/c1-2-17(13-7-8-13)14(18)11-16-10-4-6-12(16)5-3-9-15/h12-13H,2-11,15H2,1H3
InChIKeyLAZMULARAREJSE-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds7

About 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide (PubChem CID 55243372) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
PubChem CID55243372
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCCC1CCCN)C1CC1
InChIInChI=1S/C14H27N3O/c1-2-17(13-7-8-13)14(18)11-16-10-4-6-12(16)5-3-9-15/h12-13H,2-11,15H2,1H3
InChIKeyLAZMULARAREJSE-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63760499
N-cyclopropyl-N-ethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547130
N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942251
N-cyclopropyl-N-ethyl-2-[2-(2-hydroxypropyl)piperidin-1-yl]acetamide
CID 114338146
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
3-(1-pentylpyrrolidin-2-yl)propan-1-amine
CID 63762476
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 56829006
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 98765175
2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide
CID 66219814
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 55243358
N-cyclopropyl-N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]acetamide
CID 54957535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide (CID 55243372) is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN1CCCC1CCCN)C1CC1.
What is the InChIKey of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is LAZMULARAREJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-17(13-7-8-13)14(18)11-16-10-4-6-12(16)5-3-9-15/h12-13H,2-11,15H2,1H3.
What are the key properties of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide?
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 253.39 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 55243372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).