3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one

C11H21N3O — CID 20622598

IUPAC3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CCC2(CCNC(=O)NC2)CC1
InChIInChI=1S/C11H21N3O/c1-2-14-7-4-11(5-8-14)3-6-12-10(15)13-9-11/h2-9H2,1H3,(H2,12,13,15)
InChIKeyHXTPVCVXFOGKHQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.79
Rot. Bonds1

About 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one

3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 20622598) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one
PubChem CID20622598
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one
SMILESCCN1CCC2(CCNC(=O)NC2)CC1
InChIInChI=1S/C11H21N3O/c1-2-14-7-4-11(5-8-14)3-6-12-10(15)13-9-11/h2-9H2,1H3,(H2,12,13,15)
InChIKeyHXTPVCVXFOGKHQ-UHFFFAOYSA-N
XLogP0.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3234223
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3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
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2-Ethyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 167731155
2-Methyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 177800747
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
3-Methyl-1-[(piperidin-4-yl)methyl]urea
CID 81907473
N-ethyl-4-(2-fluoroethyl)piperidine-1-carboxamide
CID 144383826
4-methyl-~{N}-pentyl-piperidine-1-carboxamide
CID 108987973
5-Butyl-5-ethyl-1,3-diazepan-2-one
CID 91004205
N-(3-fluoropropyl)-4-methylpiperidine-1-carboxamide
CID 84593305
1-[(1,4-Dimethylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 103993092

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one (CID 20622598) is 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one is CCN1CCC2(CCNC(=O)NC2)CC1.
What is the InChIKey of 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is HXTPVCVXFOGKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-14-7-4-11(5-8-14)3-6-12-10(15)13-9-11/h2-9H2,1H3,(H2,12,13,15).
What are the key properties of 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one?
3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 211.31 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,8,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 20622598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).