7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine

C11H22N2O — CID 144708001

IUPAC7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine
SMILESCN1CCCCOC2(N)CCC2(C)C1
InChIInChI=1S/C11H22N2O/c1-10-5-6-11(10,12)14-8-4-3-7-13(2)9-10/h3-9,12H2,1-2H3
InChIKeyWECIBBFYHFHOCY-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.18
Rot. Bonds

About 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine

7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine (PubChem CID 144708001) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine.

Molecular Properties

Compound Name7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine
PubChem CID144708001
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine
SMILESCN1CCCCOC2(N)CCC2(C)C1
InChIInChI=1S/C11H22N2O/c1-10-5-6-11(10,12)14-8-4-3-7-13(2)9-10/h3-9,12H2,1-2H3
InChIKeyWECIBBFYHFHOCY-UHFFFAOYSA-N
XLogP1.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
1,3,3-trimethylazepane
CID 18711354
(4R)-8-methyl-1-oxa-8-azaspiro[3.5]nonane
CID 167468548
6-methyl-1-oxa-6-azacycloundecane
CID 123668114
4-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 23544679
5-methyl-1-oxa-5-azacycloundecane
CID 123548674
2,3a,10a-trimethyl-1,3,4,5,7,8,9,10-octahydrooxonino[4,5-c]pyrrole
CID 144707854
methanamine;1-methylazepane
CID 142229560
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
(1R,5R)-3,5,8,8-tetramethyl-3-azabicyclo[3.2.1]octan-1-amine
CID 58477084
(9-methyl-1-oxa-4,9-diazaspiro[4.5]decan-4-yl)methanethiol
CID 123337041

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine?
The IUPAC name of 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine (CID 144708001) is 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine.
What is the SMILES notation for 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine?
The canonical SMILES for 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine is CN1CCCCOC2(N)CCC2(C)C1.
What is the InChIKey of 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine?
The InChIKey is WECIBBFYHFHOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10-5-6-11(10,12)14-8-4-3-7-13(2)9-10/h3-9,12H2,1-2H3.
What are the key properties of 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine?
7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-2-oxa-7-azabicyclo[7.2.0]undecan-1-amine is sourced from PubChem (CID 144708001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).