2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane

C12H22N2 — CID 169302594

IUPAC2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane
SMILESCC1(C)NC2CCCC3CCCN1C32
InChIInChI=1S/C12H22N2/c1-12(2)13-10-7-3-5-9-6-4-8-14(12)11(9)10/h9-11,13H,3-8H2,1-2H3
InChIKeyLFQALQYJHJHIRV-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.96
Rot. Bonds

About 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane

2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane (PubChem CID 169302594) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane
PubChem CID169302594
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane
SMILESCC1(C)NC2CCCC3CCCN1C32
InChIInChI=1S/C12H22N2/c1-12(2)13-10-7-3-5-9-6-4-8-14(12)11(9)10/h9-11,13H,3-8H2,1-2H3
InChIKeyLFQALQYJHJHIRV-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diazatricyclo[6.4.1.04,13]tridecane
CID 166949763
(4aR,6aS,10aS,12aR)-5a,11a-dimethyl-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydroquinoxalino[2,3-b]quinoxaline
CID 15423024
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-amine
CID 142426324
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
(4aR,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 160776877
(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 66800001
(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 51863688
2-cyclobutyl-1-azabicyclo[2.2.2]octan-3-ol
CID 115016022
4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
CID 82416478
5-cyclobutyl-3,3-dimethylthiomorpholine
CID 126985980
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane?
The IUPAC name of 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane (CID 169302594) is 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane.
What is the SMILES notation for 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane?
The canonical SMILES for 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane is CC1(C)NC2CCCC3CCCN1C32.
What is the InChIKey of 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane?
The InChIKey is LFQALQYJHJHIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(2)13-10-7-3-5-9-6-4-8-14(12)11(9)10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane?
2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane has a molecular weight of 194.32 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodecane is sourced from PubChem (CID 169302594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).