(19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane

C19H36N2 — CID 170059494

IUPAC(19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane
SMILESCC1C2CCCCCCN(C3CCCCCCCN13)[C@H]2C
InChIInChI=1S/C19H36N2/c1-16-18-12-8-5-7-11-15-21(17(18)2)19-13-9-4-3-6-10-14-20(16)19/h16-19H,3-15H2,1-2H3/t16?,17-,18?,19?/m0/s1
InChIKeyLLPJKJMBCPKUNJ-JRVPFXOQSA-N
MW292.51 g/mol
LogP4.64
Rot. Bonds

About (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane

(19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane (PubChem CID 170059494) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane.

Molecular Properties

Compound Name(19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane
PubChem CID170059494
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane
SMILESCC1C2CCCCCCN(C3CCCCCCCN13)[C@H]2C
InChIInChI=1S/C19H36N2/c1-16-18-12-8-5-7-11-15-21(17(18)2)19-13-9-4-3-6-10-14-20(16)19/h16-19H,3-15H2,1-2H3/t16?,17-,18?,19?/m0/s1
InChIKeyLLPJKJMBCPKUNJ-JRVPFXOQSA-N
XLogP4.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 167191312
10-methyl-1,10-diazatricyclo[9.6.0.02,9]heptadecane
CID 166733015
(2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane
CID 11878704
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
3-bromo-1-cycloheptyl-2-methylpiperidine
CID 130934256
[(2R,3R)-1-cyclohexyl-2-methylazepan-3-yl]methanamine
CID 96604453
N-methyl-2-(2-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63464938
1,2,3-trimethylazocane
CID 58293714
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
3-chloro-1-cyclohexyl-2-methylpiperidine
CID 130979196
4-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-ol
CID 130143986
1-methyl-2-(2-methylcyclooctyl)azocane
CID 90987666

Frequently Asked Questions

What is the IUPAC name of (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane?
The IUPAC name of (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane (CID 170059494) is (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane.
What is the SMILES notation for (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane?
The canonical SMILES for (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane is CC1C2CCCCCCN(C3CCCCCCCN13)[C@H]2C.
What is the InChIKey of (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane?
The InChIKey is LLPJKJMBCPKUNJ-JRVPFXOQSA-N. The full InChI is InChI=1S/C19H36N2/c1-16-18-12-8-5-7-11-15-21(17(18)2)19-13-9-4-3-6-10-14-20(16)19/h16-19H,3-15H2,1-2H3/t16?,17-,18?,19?/m0/s1.
What are the key properties of (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane?
(19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane has a molecular weight of 292.51 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (19S)-11,19-dimethyl-1,10-diazatricyclo[10.6.1.02,10]nonadecane is sourced from PubChem (CID 170059494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).