2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride

C12H23ClN2O — CID 118741540

IUPAC2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCC(C)CN1CCC2(CCCNC2)C1=O.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-10(2)8-14-7-5-12(11(14)15)4-3-6-13-9-12;/h10,13H,3-9H2,1-2H3;1H
InChIKeyXKGKMURLCYEGRT-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.67
Rot. Bonds2

About 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride

2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 118741540) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID118741540
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCC(C)CN1CCC2(CCCNC2)C1=O.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-10(2)8-14-7-5-12(11(14)15)4-3-6-13-9-12;/h10,13H,3-9H2,1-2H3;1H
InChIKeyXKGKMURLCYEGRT-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride (CID 118741540) is 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride is CC(C)CN1CCC2(CCCNC2)C1=O.Cl.
What is the InChIKey of 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is XKGKMURLCYEGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-10(2)8-14-7-5-12(11(14)15)4-3-6-13-9-12;/h10,13H,3-9H2,1-2H3;1H.
What are the key properties of 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2,9-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 118741540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).