5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C13H22N2O — CID 774622

IUPAC5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C1N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C13H22N2O/c1-9(2)10-14-5-12(3)6-15(10)8-13(4,7-14)11(12)16/h9-10H,5-8H2,1-4H3
InChIKeyFTEJOFLBOVKXSP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.20
Rot. Bonds1

About 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 774622) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID774622
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C1N2CC3(C)CN1CC(C)(C2)C3=O
InChIInChI=1S/C13H22N2O/c1-9(2)10-14-5-12(3)6-15(10)8-13(4,7-14)11(12)16/h9-10H,5-8H2,1-4H3
InChIKeyFTEJOFLBOVKXSP-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.20
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
5,7-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
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
5-Methyl-7-propyl-1,3-diazaadamantan-6-one
CID 597301
2-Cyclohexyl-2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 702974

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 774622) is 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC(C)C1N2CC3(C)CN1CC(C)(C2)C3=O.
What is the InChIKey of 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is FTEJOFLBOVKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)10-14-5-12(3)6-15(10)8-13(4,7-14)11(12)16/h9-10H,5-8H2,1-4H3.
What are the key properties of 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 222.33 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-propan-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 774622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).