(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one

C15H28N2O — CID 95023526

IUPAC(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-6-13(16)14(18)17-11-9-15(10-12-17)7-4-5-8-15/h13H,2-12,16H2,1H3/t13-/m0/s1
InChIKeyNGBSOQZDAMAWJW-ZDUSSCGKSA-N
MW252.40 g/mol
LogP2.69
Rot. Bonds4

About (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one

(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one (PubChem CID 95023526) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
PubChem CID95023526
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-6-13(16)14(18)17-11-9-15(10-12-17)7-4-5-8-15/h13H,2-12,16H2,1H3/t13-/m0/s1
InChIKeyNGBSOQZDAMAWJW-ZDUSSCGKSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
(2S)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119315111
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
CID 62931087

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one (CID 95023526) is (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one?
The InChIKey is NGBSOQZDAMAWJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-6-13(16)14(18)17-11-9-15(10-12-17)7-4-5-8-15/h13H,2-12,16H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one?
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one is sourced from PubChem (CID 95023526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).