propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane

C13H25NO — CID 170791695

IUPACpropan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
SMILESCC(C)=O.CC(C)N1CCC2(CC1)CC2
InChIInChI=1S/C10H19N.C3H6O/c1-9(2)11-7-5-10(3-4-10)6-8-11;1-3(2)4/h9H,3-8H2,1-2H3;1-2H3
InChIKeyZITAXKKXZFKJDF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds1

About propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane

propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane (PubChem CID 170791695) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane.

Molecular Properties

Compound Namepropan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
PubChem CID170791695
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Namepropan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
SMILESCC(C)=O.CC(C)N1CCC2(CC1)CC2
InChIInChI=1S/C10H19N.C3H6O/c1-9(2)11-7-5-10(3-4-10)6-8-11;1-3(2)4/h9H,3-8H2,1-2H3;1-2H3
InChIKeyZITAXKKXZFKJDF-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)propan-1-one
CID 167326865
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
1-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)butan-2-one
CID 170177648
2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one
CID 170031553
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
(4-methylpiperidin-1-yl)-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)methanone
CID 170373750
2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
CID 155880003
4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
CID 63702401
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031

Frequently Asked Questions

What is the IUPAC name of propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane?
The IUPAC name of propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane (CID 170791695) is propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane.
What is the SMILES notation for propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane?
The canonical SMILES for propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane is CC(C)=O.CC(C)N1CCC2(CC1)CC2.
What is the InChIKey of propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane?
The InChIKey is ZITAXKKXZFKJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C3H6O/c1-9(2)11-7-5-10(3-4-10)6-8-11;1-3(2)4/h9H,3-8H2,1-2H3;1-2H3.
What are the key properties of propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane?
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane has a molecular weight of 211.35 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane is sourced from PubChem (CID 170791695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).