3-methyl-3,11-diazabicyclo[5.5.0]dodecane

C11H22N2 — CID 130417844

IUPAC3-methyl-3,11-diazabicyclo[5.5.0]dodecane
SMILESCN1CCCC2CCCNCC2C1
InChIInChI=1S/C11H22N2/c1-13-7-3-5-10-4-2-6-12-8-11(10)9-13/h10-12H,2-9H2,1H3
InChIKeyBAZNSCDAIMBDSZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds

About 3-methyl-3,11-diazabicyclo[5.5.0]dodecane

3-methyl-3,11-diazabicyclo[5.5.0]dodecane (PubChem CID 130417844) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-3,11-diazabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name3-methyl-3,11-diazabicyclo[5.5.0]dodecane
PubChem CID130417844
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-methyl-3,11-diazabicyclo[5.5.0]dodecane
SMILESCN1CCCC2CCCNCC2C1
InChIInChI=1S/C11H22N2/c1-13-7-3-5-10-4-2-6-12-8-11(10)9-13/h10-12H,2-9H2,1H3
InChIKeyBAZNSCDAIMBDSZ-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azoniabicyclo(3.2.2)nonane, 3-methyl-, iodide
CID 14521
3-Azabicyclo(3.3.1)nonane, 3-isopentyl-, hydrobromide
CID 57941
3-(1-Methylazepan-4-yl)propan-1-amine
CID 82598288
3-Azabicyclo[3.2.2]nonane-3-propanamine
CID 13511080
4-(3-Azabicyclo[3.2.2]non-3-yl)butylamine
CID 13511081
2-(3-azabicyclo[3.2.2]nonan-3-yl)-N-methylethanamine
CID 19087622
1-[(1-Ethylazepan-4-yl)methyl]-1,4-diazepane
CID 53761693
3,4-Diethylazepane
CID 57038913
[(Azepan-3-yl)methyl]diethylamine
CID 57154159
1-(2-Ethylhexyl)-1,4-diazepane
CID 61673106
2,9-Diazaspiro[6.6]tridecane
CID 66521767
2-(azepan-4-yl)-N,N-dimethylethanamine
CID 67718183

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,11-diazabicyclo[5.5.0]dodecane?
The IUPAC name of 3-methyl-3,11-diazabicyclo[5.5.0]dodecane (CID 130417844) is 3-methyl-3,11-diazabicyclo[5.5.0]dodecane.
What is the SMILES notation for 3-methyl-3,11-diazabicyclo[5.5.0]dodecane?
The canonical SMILES for 3-methyl-3,11-diazabicyclo[5.5.0]dodecane is CN1CCCC2CCCNCC2C1.
What is the InChIKey of 3-methyl-3,11-diazabicyclo[5.5.0]dodecane?
The InChIKey is BAZNSCDAIMBDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-13-7-3-5-10-4-2-6-12-8-11(10)9-13/h10-12H,2-9H2,1H3.
What are the key properties of 3-methyl-3,11-diazabicyclo[5.5.0]dodecane?
3-methyl-3,11-diazabicyclo[5.5.0]dodecane has a molecular weight of 182.31 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,11-diazabicyclo[5.5.0]dodecane is sourced from PubChem (CID 130417844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).