(8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane

C12H22N2 — CID 91214705

IUPAC(8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane
SMILESC1CCN2CN3CCCC[C@H]3C[C@@H]2C1
InChIInChI=1S/C12H22N2/c1-3-7-13-10-14-8-4-2-6-12(14)9-11(13)5-1/h11-12H,1-10H2/t11-,12-/m0/s1
InChIKeyOYQRYTGIMNBYQZ-RYUDHWBXSA-N
MW194.32 g/mol
LogP2.06
Rot. Bonds

About (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane

(8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane (PubChem CID 91214705) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane.

Molecular Properties

Compound Name(8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane
PubChem CID91214705
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane
SMILESC1CCN2CN3CCCC[C@H]3C[C@@H]2C1
InChIInChI=1S/C12H22N2/c1-3-7-13-10-14-8-4-2-6-12(14)9-11(13)5-1/h11-12H,1-10H2/t11-,12-/m0/s1
InChIKeyOYQRYTGIMNBYQZ-RYUDHWBXSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

13-Azatricyclo[7.3.1.05,13]tridecane
CID 12284662
7,10-Diazatricyclo[8.4.0.02,7]tetradecane
CID 13256646
(12aR,12bS)-Dodecahydrodipyrido(1,2-a:2',1'-c)pyrazine
CID 177008
1-(4,5-Dihydroxy-7-methyl-9,10-dioxo-1-anthryl)-2,4,5-trihydroxy-7-methylanthracene-9,10-dione
CID 177009
(8S,10R)-1,3-diazatricyclo[8.4.0.03,8]tetradecane
CID 28138170
(1R,3R,5R,7R,9R,11R)-2,3,6,7,10,11-hexamethyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane
CID 21600234
2-Methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
CID 21820335
2,3,6,7,10,11-Hexamethyl-2,6,10,13-tetrazatricyclo[7.3.1.05,13]tridecane
CID 73797394
2-Propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
CID 121220915
Ethane;2-methyl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
CID 168977388
3-Propan-2-yl-1,3-diazabicyclo[2.2.2]octane
CID 176842283
1,3-Diazatricyclo[8.4.0.03,8]tetradecane
CID 3777427

Frequently Asked Questions

What is the IUPAC name of (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane?
The IUPAC name of (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane (CID 91214705) is (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane.
What is the SMILES notation for (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane?
The canonical SMILES for (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane is C1CCN2CN3CCCC[C@H]3C[C@@H]2C1.
What is the InChIKey of (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane?
The InChIKey is OYQRYTGIMNBYQZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-7-13-10-14-8-4-2-6-12(14)9-11(13)5-1/h11-12H,1-10H2/t11-,12-/m0/s1.
What are the key properties of (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane?
(8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane has a molecular weight of 194.32 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,10S)-1,3-diazatricyclo[8.4.0.03,8]tetradecane is sourced from PubChem (CID 91214705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).