4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane

C13H25N3 — CID 70868554

IUPAC4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
SMILESCCC1CC2C3CNCCC3NC2N1CC
InChIInChI=1S/C13H25N3/c1-3-9-7-10-11-8-14-6-5-12(11)15-13(10)16(9)4-2/h9-15H,3-8H2,1-2H3
InChIKeyWHNCOSXPRMEDJQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.01
Rot. Bonds2

About 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane

4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane (PubChem CID 70868554) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
PubChem CID70868554
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
SMILESCCC1CC2C3CNCCC3NC2N1CC
InChIInChI=1S/C13H25N3/c1-3-9-7-10-11-8-14-6-5-12(11)15-13(10)16(9)4-2/h9-15H,3-8H2,1-2H3
InChIKeyWHNCOSXPRMEDJQ-UHFFFAOYSA-N
XLogP1.01
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

decahydro-1H-pyrrolo[3,4-a]indolizine
CID 54594924
decahydro-1H-pyrrolo[3,4-b]indolizine
CID 16227935
4,5-Ditert-butyl-3-propan-2-yl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane
CID 58849758
4,5-Ditert-butyl-3-propan-2-yl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
CID 58849801
3,4,5-Tritert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
CID 58849867
1,2,3-tritert-butyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole
CID 58849887
4,5-Ditert-butyl-3-propan-2-yl-5,7,12-triazatricyclo[6.4.0.02,6]dodecane
CID 58849890
2,3-ditert-butyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indole
CID 58849891
3,4,5-Tritert-butyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
CID 58849897
4,5-Ditert-butyl-3-cyclohexyl-5,7,9-triazatricyclo[6.4.0.02,6]dodecane
CID 58849901
4,5-Ditert-butyl-3-propan-2-yl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
CID 58849912
4,5-Ditert-butyl-3-cyclohexyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
CID 58849919

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane (CID 70868554) is 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane is CCC1CC2C3CNCCC3NC2N1CC.
What is the InChIKey of 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane?
The InChIKey is WHNCOSXPRMEDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-9-7-10-11-8-14-6-5-12(11)15-13(10)16(9)4-2/h9-15H,3-8H2,1-2H3.
What are the key properties of 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane?
4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane has a molecular weight of 223.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 70868554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).