9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C7H14N2O — CID 67212442

IUPAC9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCN1C2CNCC1COC2
InChIInChI=1S/C7H14N2O/c1-9-6-2-8-3-7(9)5-10-4-6/h6-8H,2-5H2,1H3
InChIKeyOOZWMPOUEKJOCJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.71
Rot. Bonds

About 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane

9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 67212442) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
PubChem CID67212442
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCN1C2CNCC1COC2
InChIInChI=1S/C7H14N2O/c1-9-6-2-8-3-7(9)5-10-4-6/h6-8H,2-5H2,1H3
InChIKeyOOZWMPOUEKJOCJ-UHFFFAOYSA-N
XLogP-0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane with MolForge

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Related Compounds

(1S,5S)-9-propan-2-yl-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 98255776
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
N,N,9-trimethyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 118447435
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane
CID 163257227
N-(azetidin-3-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130679247
8-methyl-6-oxa-3,8-diazabicyclo[3.2.2]nonane
CID 123969687
9-methyl-7-oxa-2,9-diazabicyclo[3.3.1]nonane
CID 123694456
(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonane;dihydrochloride
CID 75530864
1-(8-oxa-3,10-diazabicyclo[4.3.1]decan-10-yl)ethanone
CID 146602397
9-benzyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;hydrochloride
CID 68843951
cyclopropyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171939019
8-propan-2-yl-3-oxa-8-azabicyclo[3.2.1]octane
CID 58110399

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 67212442) is 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is CN1C2CNCC1COC2.
What is the InChIKey of 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The InChIKey is OOZWMPOUEKJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-6-2-8-3-7(9)5-10-4-6/h6-8H,2-5H2,1H3.
What are the key properties of 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 142.20 g/mol, XLogP of -0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 67212442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).