(2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane

C16H30N2 — CID 11218924

IUPAC(2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
SMILESCC[C@H]1CC[C@@H]2N1[C@H](C)[C@H](C)[C@@H]1CC[C@H](CC)N21
InChIInChI=1S/C16H30N2/c1-5-13-8-10-16-17(13)12(4)11(3)15-9-7-14(6-2)18(15)16/h11-16H,5-10H2,1-4H3/t11-,12+,13-,14-,15-,16+/m0/s1
InChIKeyPSDKMWCOMJXQGE-PLZKBRGSSA-N
MW250.43 g/mol
LogP3.47
Rot. Bonds2

About (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane

(2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane (PubChem CID 11218924) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane.

Molecular Properties

Compound Name(2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
PubChem CID11218924
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
SMILESCC[C@H]1CC[C@@H]2N1[C@H](C)[C@H](C)[C@@H]1CC[C@H](CC)N21
InChIInChI=1S/C16H30N2/c1-5-13-8-10-16-17(13)12(4)11(3)15-9-7-14(6-2)18(15)16/h11-16H,5-10H2,1-4H3/t11-,12+,13-,14-,15-,16+/m0/s1
InChIKeyPSDKMWCOMJXQGE-PLZKBRGSSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane with MolForge

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Related Compounds

(2S,7S,9R)-7-pentyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 11053662
(2R,7S,9R)-7-pentyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
CID 10563387
(2S,7R,9R)-7-pentyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 10857466
2-(3,7-dimethyloctyl)-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 85550805
(5S,6aR,10aS)-5-Propyldecahydrodipyrrolo[1,2-a:1',2'-c]pyrimidine
CID 86185317
(5S,6aR,10aS)-Decahydro-5-propyldipyrrolo(1,2-a:1',2'-c)pyrimidine
CID 101725138
(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 101998391
(4R,7S,9S,12R)-4,12-dimethyl-1,3-diazatricyclo[7.3.0.03,7]dodecane
CID 68337458
(4S,7R,9R,12S)-4,12-dimethyl-1,3-diazatricyclo[7.3.0.03,7]dodecane
CID 68337460
4,5-Diethyl-3-propan-2-yl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
CID 71167072
2,6-dimethyl-3,4,4a,5,6,7-hexahydro-1H-pyrrolo[1,2-c]pyrimidine
CID 117633280
2-(2-Methylpropyl)-4,8-diazatricyclo[6.6.1.04,15]pentadecane
CID 123474050

Frequently Asked Questions

What is the IUPAC name of (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane?
The IUPAC name of (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane (CID 11218924) is (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane.
What is the SMILES notation for (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane?
The canonical SMILES for (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane is CC[C@H]1CC[C@@H]2N1[C@H](C)[C@H](C)[C@@H]1CC[C@H](CC)N21.
What is the InChIKey of (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane?
The InChIKey is PSDKMWCOMJXQGE-PLZKBRGSSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-13-8-10-16-17(13)12(4)11(3)15-9-7-14(6-2)18(15)16/h11-16H,5-10H2,1-4H3/t11-,12+,13-,14-,15-,16+/m0/s1.
What are the key properties of (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane?
(2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane has a molecular weight of 250.43 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane is sourced from PubChem (CID 11218924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).