3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one

C11H21N3O — CID 83885529

IUPAC3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC(C)N1C(=O)N(C)CC12CCNCC2
InChIInChI=1S/C11H21N3O/c1-9(2)14-10(15)13(3)8-11(14)4-6-12-7-5-11/h9,12H,4-8H2,1-3H3
InChIKeyUNJDUNNDSKBGEJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.88
Rot. Bonds1

About 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one

3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 83885529) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID83885529
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC(C)N1C(=O)N(C)CC12CCNCC2
InChIInChI=1S/C11H21N3O/c1-9(2)14-10(15)13(3)8-11(14)4-6-12-7-5-11/h9,12H,4-8H2,1-3H3
InChIKeyUNJDUNNDSKBGEJ-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

1-ethyl-3-methyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 83880171
4-propan-2-yl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 134389583
2-methyl-2,7-diazaspiro[3.5]nonan-3-one;hydrochloride
CID 135392414
1-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]decan-2-one
CID 83885526
1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 66570377
1-methyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 121229524
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
1-methyl-1,4,9-triazaspiro[5.5]undecan-3-one
CID 82407055
5-propan-2-yl-2,5,7-triazaspiro[3.4]octan-6-one
CID 105434190
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
ethane;2-methyl-2,7-diazaspiro[3.5]nonane
CID 143448801
4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 75531160

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one (CID 83885529) is 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one is CC(C)N1C(=O)N(C)CC12CCNCC2.
What is the InChIKey of 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is UNJDUNNDSKBGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)14-10(15)13(3)8-11(14)4-6-12-7-5-11/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one?
3-methyl-1-propan-2-yl-1,3,8-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 3-methyl-1-propan-2-yl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 83885529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).