4-methyl-1,4-diazabicyclo[5.5.0]dodecane

C11H22N2 — CID 58970114

IUPAC4-methyl-1,4-diazabicyclo[5.5.0]dodecane
SMILESCN1CCC2CCCCCN2CC1
InChIInChI=1S/C11H22N2/c1-12-8-6-11-5-3-2-4-7-13(11)10-9-12/h11H,2-10H2,1H3
InChIKeyQGTFEYYHBJWSSZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.57
Rot. Bonds

About 4-methyl-1,4-diazabicyclo[5.5.0]dodecane

4-methyl-1,4-diazabicyclo[5.5.0]dodecane (PubChem CID 58970114) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-1,4-diazabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name4-methyl-1,4-diazabicyclo[5.5.0]dodecane
PubChem CID58970114
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-methyl-1,4-diazabicyclo[5.5.0]dodecane
SMILESCN1CCC2CCCCCN2CC1
InChIInChI=1S/C11H22N2/c1-12-8-6-11-5-3-2-4-7-13(11)10-9-12/h11H,2-10H2,1H3
InChIKeyQGTFEYYHBJWSSZ-UHFFFAOYSA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-diazabicyclo[5.5.0]dodecane?
The IUPAC name of 4-methyl-1,4-diazabicyclo[5.5.0]dodecane (CID 58970114) is 4-methyl-1,4-diazabicyclo[5.5.0]dodecane.
What is the SMILES notation for 4-methyl-1,4-diazabicyclo[5.5.0]dodecane?
The canonical SMILES for 4-methyl-1,4-diazabicyclo[5.5.0]dodecane is CN1CCC2CCCCCN2CC1.
What is the InChIKey of 4-methyl-1,4-diazabicyclo[5.5.0]dodecane?
The InChIKey is QGTFEYYHBJWSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-12-8-6-11-5-3-2-4-7-13(11)10-9-12/h11H,2-10H2,1H3.
What are the key properties of 4-methyl-1,4-diazabicyclo[5.5.0]dodecane?
4-methyl-1,4-diazabicyclo[5.5.0]dodecane has a molecular weight of 182.31 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-diazabicyclo[5.5.0]dodecane is sourced from PubChem (CID 58970114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).