2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone

C17H23NO2 — CID 116551165

IUPAC2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
SMILESNC(C(=O)C1CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C17H23NO2/c18-15(13-6-2-1-3-7-13)16(19)14-8-11-20-17(12-14)9-4-5-10-17/h1-3,6-7,14-15H,4-5,8-12,18H2
InChIKeyXRXRYGOGMFBOJE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.99
Rot. Bonds3

About 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone

2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone (PubChem CID 116551165) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
PubChem CID116551165
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
SMILESNC(C(=O)C1CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C17H23NO2/c18-15(13-6-2-1-3-7-13)16(19)14-8-11-20-17(12-14)9-4-5-10-17/h1-3,6-7,14-15H,4-5,8-12,18H2
InChIKeyXRXRYGOGMFBOJE-UHFFFAOYSA-N
XLogP2.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
2-amino-1-cyclohexyl-2-phenylethanone
CID 116551119
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
CID 116606560
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
2-(6-oxaspiro[4.5]decan-9-ylamino)-2-phenylacetic acid
CID 79901122
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-phenylbutan-1-one
CID 115788081
2-(2-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909414
1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethane-1,2-diol
CID 103459515
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone (CID 116551165) is 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone is NC(C(=O)C1CCOC2(CCCC2)C1)c1ccccc1.
What is the InChIKey of 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone?
The InChIKey is XRXRYGOGMFBOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c18-15(13-6-2-1-3-7-13)16(19)14-8-11-20-17(12-14)9-4-5-10-17/h1-3,6-7,14-15H,4-5,8-12,18H2.
What are the key properties of 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone?
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone has a molecular weight of 273.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone is sourced from PubChem (CID 116551165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).