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

C14H24N2O — CID 616813

IUPAC5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C12CN3CN(C1)CC(C(C)C)(C3)C2=O
InChIInChI=1S/C14H24N2O/c1-10(2)13-5-15-7-14(11(3)4,12(13)17)8-16(6-13)9-15/h10-11H,5-9H2,1-4H3
InChIKeyDVIWTCMIGFJXOA-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.44
Rot. Bonds2

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

5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 616813) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID616813
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C12CN3CN(C1)CC(C(C)C)(C3)C2=O
InChIInChI=1S/C14H24N2O/c1-10(2)13-5-15-7-14(11(3)4,12(13)17)8-16(6-13)9-15/h10-11H,5-9H2,1-4H3
InChIKeyDVIWTCMIGFJXOA-UHFFFAOYSA-N
XLogP1.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 616813) is 5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC(C)C12CN3CN(C1)CC(C(C)C)(C3)C2=O.
What is the InChIKey of 5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is DVIWTCMIGFJXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)13-5-15-7-14(11(3)4,12(13)17)8-16(6-13)9-15/h10-11H,5-9H2,1-4H3.
What are the key properties of 5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 236.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 616813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).