2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene

C16H22N2 — CID 146389257

IUPAC2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
SMILESCC1(C)CCc2cn(C(C)(C)C)c3ccnc1c23
InChIInChI=1S/C16H22N2/c1-15(2,3)18-10-11-6-8-16(4,5)14-13(11)12(18)7-9-17-14/h7,9-10H,6,8H2,1-5H3
InChIKeyYNRGGOMAVUFXQA-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.02
Rot. Bonds

About 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene

2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene (PubChem CID 146389257) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene.

Molecular Properties

Compound Name2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
PubChem CID146389257
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
SMILESCC1(C)CCc2cn(C(C)(C)C)c3ccnc1c23
InChIInChI=1S/C16H22N2/c1-15(2,3)18-10-11-6-8-16(4,5)14-13(11)12(18)7-9-17-14/h7,9-10H,6,8H2,1-5H3
InChIKeyYNRGGOMAVUFXQA-UHFFFAOYSA-N
XLogP4.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1,3-dimethylpyrrolo[3,2-c]pyridine
CID 91219578
1,4-ditert-butylpyrrolo[3,2-c]pyridine
CID 118391024
7-tert-butyl-5,6-dihydrocyclopenta[b]pyridin-7-ol
CID 155363852
2-(chloromethyl)-7,7-dimethyl-5,6-dihydrocyclopenta[d]pyrimidine
CID 23080910
4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine
CID 154769202
3-tert-butyl-7-methyl-7-(5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)-6,8-dihydro-5H-[1,2,4]triazino[1,6-b]indazol-4-one
CID 139494984
2-(1,3-dimethylpyrrolo[3,2-c]pyridin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 150332027
1,3-dimethylpyrrolo[3,2-c]pyridin-4-amine;propane
CID 158248521
5-tert-butyl-2,6,6-trimethyl-4H-pyrrolo[3,4-c]pyrazole
CID 168820911
1-tert-butyl-4-(2-chloro-4-pyridinyl)piperazine
CID 103756521
2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761593
7-tert-butyl-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 160814416

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The IUPAC name of 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene (CID 146389257) is 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene.
What is the SMILES notation for 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The canonical SMILES for 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene is CC1(C)CCc2cn(C(C)(C)C)c3ccnc1c23.
What is the InChIKey of 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
The InChIKey is YNRGGOMAVUFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-15(2,3)18-10-11-6-8-16(4,5)14-13(11)12(18)7-9-17-14/h7,9-10H,6,8H2,1-5H3.
What are the key properties of 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene?
2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene has a molecular weight of 242.37 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7,7-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene is sourced from PubChem (CID 146389257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).