1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane

C13H27N3O — CID 170592194

IUPAC1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane
SMILESCC.CCC(=O)N1CC2(CCN(CCN)C2)C1
InChIInChI=1S/C11H21N3O.C2H6/c1-2-10(15)14-8-11(9-14)3-5-13(7-11)6-4-12;1-2/h2-9,12H2,1H3;1-2H3
InChIKeyTVINSFRBDYKBJR-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.92
Rot. Bonds3

About 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane

1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane (PubChem CID 170592194) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane.

Molecular Properties

Compound Name1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane
PubChem CID170592194
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane
SMILESCC.CCC(=O)N1CC2(CCN(CCN)C2)C1
InChIInChI=1S/C11H21N3O.C2H6/c1-2-10(15)14-8-11(9-14)3-5-13(7-11)6-4-12;1-2/h2-9,12H2,1H3;1-2H3
InChIKeyTVINSFRBDYKBJR-UHFFFAOYSA-N
XLogP0.92
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Dimethyl-1-(pyrrolidin-3-yl)azetidin-2-one
CID 145867480
1-{2,6-Diazaspiro[3.4]octan-2-yl}ethan-1-one dihydrochloride
CID 146121146
1-{2,6-Diazaspiro[3.4]octan-2-yl}ethan-1-one hydrochloride
CID 165603872
Ethanone, 1-(2,6-diazaspiro[3.4]oct-2-yl)-
CID 84107412
(3,3-Dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-3-yl)methanone
CID 118447924
(2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one
CID 144942257
2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoro-2-methylpropan-1-one
CID 144942268
1-{8,8-Difluoro-2,6-diazaspiro[3.4]octan-6-yl}-2,2-dimethylpropan-1-one
CID 165956748
1-(2-Amino-3,3-dimethylbutyl)pyrrolidin-2-one
CID 16791933
1-[(2S)-2-amino-3,3-dimethylbutyl]pyrrolidin-2-one
CID 30820445
(R)-1-(3-Aminopyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 53256399
1-[(3S)-3-aminopyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 53256885

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane?
The IUPAC name of 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane (CID 170592194) is 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane.
What is the SMILES notation for 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane?
The canonical SMILES for 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane is CC.CCC(=O)N1CC2(CCN(CCN)C2)C1.
What is the InChIKey of 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane?
The InChIKey is TVINSFRBDYKBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C2H6/c1-2-10(15)14-8-11(9-14)3-5-13(7-11)6-4-12;1-2/h2-9,12H2,1H3;1-2H3.
What are the key properties of 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane?
1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane has a molecular weight of 241.38 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane is sourced from PubChem (CID 170592194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).