5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane

C14H30N4 — CID 12860755

IUPAC5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane
SMILESCN1CCCN2CCN(CCCN(C)CC1)CC2
InChIInChI=1S/C14H30N4/c1-15-5-3-7-17-11-13-18(14-12-17)8-4-6-16(2)10-9-15/h3-14H2,1-2H3
InChIKeyQMRWQYZNYCDEBG-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.26
Rot. Bonds

About 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane

5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane (PubChem CID 12860755) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane.

Molecular Properties

Compound Name5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane
PubChem CID12860755
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane
SMILESCN1CCCN2CCN(CCCN(C)CC1)CC2
InChIInChI=1S/C14H30N4/c1-15-5-3-7-17-11-13-18(14-12-17)8-4-6-16(2)10-9-15/h3-14H2,1-2H3
InChIKeyQMRWQYZNYCDEBG-UHFFFAOYSA-N
XLogP0.26
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane?
The IUPAC name of 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane (CID 12860755) is 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane.
What is the SMILES notation for 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane?
The canonical SMILES for 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane is CN1CCCN2CCN(CCCN(C)CC1)CC2.
What is the InChIKey of 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane?
The InChIKey is QMRWQYZNYCDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-15-5-3-7-17-11-13-18(14-12-17)8-4-6-16(2)10-9-15/h3-14H2,1-2H3.
What are the key properties of 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane?
5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane has a molecular weight of 254.42 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-1,5,8,12-tetrazabicyclo[10.2.2]hexadecane is sourced from PubChem (CID 12860755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).