2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride

C15H29ClN2O2 — CID 120792953

IUPAC2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
SMILESCCC1(CC)CCN(C(=O)C(N)C2CCOCC2)C1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-3-15(4-2)7-8-17(11-15)14(18)13(16)12-5-9-19-10-6-12;/h12-13H,3-11,16H2,1-2H3;1H
InChIKeyFJTOXJVOOBDFHL-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.20
Rot. Bonds4

About 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride

2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride (PubChem CID 120792953) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
PubChem CID120792953
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
SMILESCCC1(CC)CCN(C(=O)C(N)C2CCOCC2)C1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-3-15(4-2)7-8-17(11-15)14(18)13(16)12-5-9-19-10-6-12;/h12-13H,3-11,16H2,1-2H3;1H
InChIKeyFJTOXJVOOBDFHL-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120788464
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120794119
2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone
CID 120796476
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-(oxan-4-yl)ethanone
CID 120791664
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(oxan-4-yl)ethanone
CID 120795298
2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120793643
(2R)-2-amino-2-cyclopropyl-1-(3,3-dimethylpyrrolidin-1-yl)ethanone;ethane
CID 144942279
2-amino-1-(2-ethyl-6-methylmorpholin-4-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120789971
N-[1-[2-amino-2-(oxan-4-yl)acetyl]piperidin-3-yl]propanamide;hydrochloride
CID 120790917
2-amino-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796599
2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120797730
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792917

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride (CID 120792953) is 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride is CCC1(CC)CCN(C(=O)C(N)C2CCOCC2)C1.Cl.
What is the InChIKey of 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride?
The InChIKey is FJTOXJVOOBDFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-3-15(4-2)7-8-17(11-15)14(18)13(16)12-5-9-19-10-6-12;/h12-13H,3-11,16H2,1-2H3;1H.
What are the key properties of 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride?
2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 120792953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).