3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one

C13H24N2O — CID 62937582

IUPAC3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
SMILESNCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H24N2O/c14-9-4-12(16)15-10-7-13(8-11-15)5-2-1-3-6-13/h1-11,14H2
InChIKeyYOEZSKUVRGVLEL-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds2

About 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one

3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one (PubChem CID 62937582) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
PubChem CID62937582
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
SMILESNCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H24N2O/c14-9-4-12(16)15-10-7-13(8-11-15)5-2-1-3-6-13/h1-11,14H2
InChIKeyYOEZSKUVRGVLEL-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 104678183
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046
4-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylbutan-1-one
CID 81079240
1-(8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 63163607
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62930739
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
3-(2-aminoethoxy)-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 112739108

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one (CID 62937582) is 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one is NCCC(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one?
The InChIKey is YOEZSKUVRGVLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-9-4-12(16)15-10-7-13(8-11-15)5-2-1-3-6-13/h1-11,14H2.
What are the key properties of 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one?
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one is sourced from PubChem (CID 62937582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).