(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride

C14H27ClN2O3 — CID 119338489

IUPAC(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCOCCOCC1CCN(C(=O)C2(N)CCCC2)C1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-18-8-9-19-11-12-4-7-16(10-12)13(17)14(15)5-2-3-6-14;/h12H,2-11,15H2,1H3;1H
InChIKeyAQLGYGUAHRJXBV-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.19
Rot. Bonds6

About (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride

(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119338489) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119338489
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Name(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCOCCOCC1CCN(C(=O)C2(N)CCCC2)C1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-18-8-9-19-11-12-4-7-16(10-12)13(17)14(15)5-2-3-6-14;/h12H,2-11,15H2,1H3;1H
InChIKeyAQLGYGUAHRJXBV-UHFFFAOYSA-N
XLogP1.19
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
(1-aminocyclohexyl)-[3-(3-methylbutoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119326965
2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119809795
(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119880395
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946
(1-aminocyclopentyl)-[(2S)-2-(methoxymethyl)morpholin-4-yl]methanone
CID 125119390
(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781887
(1-aminocyclopropyl)-[(3R)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 130609691
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
(1-aminocyclopentyl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
CID 119345338
(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81172154

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119338489) is (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride is COCCOCC1CCN(C(=O)C2(N)CCCC2)C1.Cl.
What is the InChIKey of (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is AQLGYGUAHRJXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-18-8-9-19-11-12-4-7-16(10-12)13(17)14(15)5-2-3-6-14;/h12H,2-11,15H2,1H3;1H.
What are the key properties of (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride?
(1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119338489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).