4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane

C13H25N3 — CID 163997811

IUPAC4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
SMILESCC(C)(C)C1CC2C(NC3CNCCC32)N1
InChIInChI=1S/C13H25N3/c1-13(2,3)11-6-9-8-4-5-14-7-10(8)15-12(9)16-11/h8-12,14-16H,4-7H2,1-3H3
InChIKeyUGGIXIMLHQUVAN-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.92
Rot. Bonds

About 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane

4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane (PubChem CID 163997811) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
PubChem CID163997811
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
SMILESCC(C)(C)C1CC2C(NC3CNCCC32)N1
InChIInChI=1S/C13H25N3/c1-13(2,3)11-6-9-8-4-5-14-7-10(8)15-12(9)16-11/h8-12,14-16H,4-7H2,1-3H3
InChIKeyUGGIXIMLHQUVAN-UHFFFAOYSA-N
XLogP0.92
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
CID 163551095
7-bromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-pyrido[3,4-b]indole
CID 118587319
(3aS,5S,6aS)-2,5-ditert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 161153492
5-tert-butyl-1,4-diazepane
CID 167270425
4-(4-tert-butylcyclohexyl)-3-methylpiperidine
CID 104576146
4-(4-tert-butylcyclohexyl)-3-cyclopentylpiperidine
CID 104576151
4-tert-butyl-3-cyclopentylpiperidine
CID 112570800
2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine
CID 139342130
6,7-ditert-butyl-8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 59918176
2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-imidazo[4,5-c]pyridine
CID 164721260
4-tert-butyl-2-pyrrolidin-3-yl-4,5-dihydro-1,3-oxazole
CID 84667112
(3R)-3-tert-butylpiperidine
CID 59772800

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane (CID 163997811) is 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane is CC(C)(C)C1CC2C(NC3CNCCC32)N1.
What is the InChIKey of 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane?
The InChIKey is UGGIXIMLHQUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,3)11-6-9-8-4-5-14-7-10(8)15-12(9)16-11/h8-12,14-16H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane?
4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane has a molecular weight of 223.36 g/mol, XLogP of 0.92, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 163997811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).