2-methyl-2,8-diazabicyclo[5.5.0]dodecane

C11H22N2 — CID 130417846

IUPAC2-methyl-2,8-diazabicyclo[5.5.0]dodecane
SMILESCN1CCCCC2NCCCCC21
InChIInChI=1S/C11H22N2/c1-13-9-5-3-6-10-11(13)7-2-4-8-12-10/h10-12H,2-9H2,1H3
InChIKeyWNCXQWQJIVDVGC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.61
Rot. Bonds

About 2-methyl-2,8-diazabicyclo[5.5.0]dodecane

2-methyl-2,8-diazabicyclo[5.5.0]dodecane (PubChem CID 130417846) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-2,8-diazabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name2-methyl-2,8-diazabicyclo[5.5.0]dodecane
PubChem CID130417846
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-methyl-2,8-diazabicyclo[5.5.0]dodecane
SMILESCN1CCCCC2NCCCCC21
InChIInChI=1S/C11H22N2/c1-13-9-5-3-6-10-11(13)7-2-4-8-12-10/h10-12H,2-9H2,1H3
InChIKeyWNCXQWQJIVDVGC-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,8-diazabicyclo[5.5.0]dodecane?
The IUPAC name of 2-methyl-2,8-diazabicyclo[5.5.0]dodecane (CID 130417846) is 2-methyl-2,8-diazabicyclo[5.5.0]dodecane.
What is the SMILES notation for 2-methyl-2,8-diazabicyclo[5.5.0]dodecane?
The canonical SMILES for 2-methyl-2,8-diazabicyclo[5.5.0]dodecane is CN1CCCCC2NCCCCC21.
What is the InChIKey of 2-methyl-2,8-diazabicyclo[5.5.0]dodecane?
The InChIKey is WNCXQWQJIVDVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-13-9-5-3-6-10-11(13)7-2-4-8-12-10/h10-12H,2-9H2,1H3.
What are the key properties of 2-methyl-2,8-diazabicyclo[5.5.0]dodecane?
2-methyl-2,8-diazabicyclo[5.5.0]dodecane has a molecular weight of 182.31 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,8-diazabicyclo[5.5.0]dodecane is sourced from PubChem (CID 130417846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).