5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C12H20N2O — CID 597302

IUPAC5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CN(C1)CC(CC)(C3)C2=O
InChIInChI=1S/C12H20N2O/c1-3-11-5-13-7-12(4-2,10(11)15)8-14(6-11)9-13/h3-9H2,1-2H3
InChIKeyYFJQQYQDMCFNRF-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.95
Rot. Bonds2

About 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 597302) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID597302
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CN(C1)CC(CC)(C3)C2=O
InChIInChI=1S/C12H20N2O/c1-3-11-5-13-7-12(4-2,10(11)15)8-14(6-11)9-13/h3-9H2,1-2H3
InChIKeyYFJQQYQDMCFNRF-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 2,2,5,7-tetramethyl-
CID 596440
5'-Methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-one
CID 752764
5,7-Diisopropyl-2,2-dimethyl-1,3-diazaadamantan-6-one
CID 808569
5,7-Dimethyl-1,3-diazaadamantan-6-one
CID 586797
Spiro(cyclohexane-1,2'-(1,3)diazatricyclo(3.3.1.1(sup 3,7))decan)-6'-one, 5',7'-dimethyl-
CID 689311
Spiro(cyclopentane-1,2'-(1,3)diazatricyclo(3.3.1.1(sup 3,7))decan)-6'-one, 5',7'-dimethyl-
CID 703056
1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-ethyl-
CID 1738129
1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-, hydrochloride
CID 3075224
2-[[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]methyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 171348899
5,7-Dipropyl-1,3-diazaadamantan-6-one
CID 535997
5,7-Di-isopropyl-1,3-diazaadamantan-6-one
CID 616813
2-Ethyl-2,5-dimethyl-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 714304

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 597302) is 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCC12CN3CN(C1)CC(CC)(C3)C2=O.
What is the InChIKey of 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is YFJQQYQDMCFNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-11-5-13-7-12(4-2,10(11)15)8-14(6-11)9-13/h3-9H2,1-2H3.
What are the key properties of 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 208.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 597302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).