7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C12H24N2O — CID 146275691

IUPAC7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)N1CC2COCC(C1)N2C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)13-5-11-7-15-8-12(6-13)14(11)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyUAPQHBFEJQTDIP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.19
Rot. Bonds2

About 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 146275691) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
PubChem CID146275691
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)N1CC2COCC(C1)N2C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)13-5-11-7-15-8-12(6-13)14(11)10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyUAPQHBFEJQTDIP-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399
(2S,6R)-2,6-dimethyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazine
CID 142561847
7-methylsulfonyl-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 139302180
(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 98255776
3-(oxolan-3-yl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 178050456
4-(1-propan-2-ylazetidin-3-yl)morpholine
CID 58547003
11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane
CID 167139033
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
CID 158775151
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane
CID 159832079
(1S,5R,6R)-5-fluoro-7-propan-2-yl-3-oxa-7-azabicyclo[4.1.1]octane
CID 176594328
3,5-dichloro-4-propan-2-ylmorpholine
CID 70207780

Frequently Asked Questions

What is the IUPAC name of 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 146275691) is 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane is CC(C)N1CC2COCC(C1)N2C(C)C.
What is the InChIKey of 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The InChIKey is UAPQHBFEJQTDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)13-5-11-7-15-8-12(6-13)14(11)10(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 212.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-di(propan-2-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 146275691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).