1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one

C11H21N3O — CID 83885526

IUPAC1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one
SMILESCC(C)N1CC2(CCCNC2)N(C)C1=O
InChIInChI=1S/C11H21N3O/c1-9(2)14-8-11(13(3)10(14)15)5-4-6-12-7-11/h9,12H,4-8H2,1-3H3
InChIKeyFBWLROJYUAUZHL-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.88
Rot. Bonds1

About 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one

1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one (PubChem CID 83885526) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one
PubChem CID83885526
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one
SMILESCC(C)N1CC2(CCCNC2)N(C)C1=O
InChIInChI=1S/C11H21N3O/c1-9(2)14-8-11(13(3)10(14)15)5-4-6-12-7-11/h9,12H,4-8H2,1-3H3
InChIKeyFBWLROJYUAUZHL-UHFFFAOYSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-2,9-diazaspiro[4.5]decan-3-one
CID 84667102
2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 45074134
2-propan-2-yl-2,10-diazaspiro[4.6]undecan-3-one
CID 105464444
2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074133
ethane;1-methyl-1,8-diazaspiro[3.5]nonane
CID 156845056
1-methyl-3-propan-2-yl-1,3-diazaspiro[5.5]undecane-2,4-dione
CID 65243320
3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 83885529
10-propan-2-yl-7,10-diazaspiro[4.6]undecan-11-one
CID 115100278
5-methyl-7-methylidene-8-propan-2-yl-5,8-diazaspiro[3.5]nonane
CID 175639324
ethane;1-propan-2-yl-4-oxa-1,8-diazaspiro[5.5]undecane
CID 153357180
1-propan-2-ylspiro[2H-indole-3,3'-piperidine];hydrochloride
CID 70110226
6,6-dimethyl-4-propan-2-yl-1,4-diazepan-5-one
CID 83696982

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one (CID 83885526) is 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one is CC(C)N1CC2(CCCNC2)N(C)C1=O.
What is the InChIKey of 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one?
The InChIKey is FBWLROJYUAUZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)14-8-11(13(3)10(14)15)5-4-6-12-7-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one?
1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one has a molecular weight of 211.31 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 83885526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).