11-methyl-11-azatricyclo[10.7.1.02,10]icosane

C20H37N — CID 166832080

IUPAC11-methyl-11-azatricyclo[10.7.1.02,10]icosane
SMILESCN1C2CCCCCCCC(C2)C2CCCCCCCC21
InChIInChI=1S/C20H37N/c1-21-18-13-9-5-2-4-8-12-17(16-18)19-14-10-6-3-7-11-15-20(19)21/h17-20H,2-16H2,1H3
InChIKeyONPJFCXGNQYSJY-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.78
Rot. Bonds

About 11-methyl-11-azatricyclo[10.7.1.02,10]icosane

11-methyl-11-azatricyclo[10.7.1.02,10]icosane (PubChem CID 166832080) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 11-methyl-11-azatricyclo[10.7.1.02,10]icosane.

Molecular Properties

Compound Name11-methyl-11-azatricyclo[10.7.1.02,10]icosane
PubChem CID166832080
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name11-methyl-11-azatricyclo[10.7.1.02,10]icosane
SMILESCN1C2CCCCCCCC(C2)C2CCCCCCCC21
InChIInChI=1S/C20H37N/c1-21-18-13-9-5-2-4-8-12-17(16-18)19-14-10-6-3-7-11-15-20(19)21/h17-20H,2-16H2,1H3
InChIKeyONPJFCXGNQYSJY-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-methyl-10-azatricyclo[9.6.2.12,9]icosane
CID 134213267
20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide
CID 130347156
2-methyl-2-azatricyclo[11.7.0.03,9]icosane
CID 155380713
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
CID 100964186
(10S,11aS)-10-cyclohexyl-5,10a-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,10,11,11a-tetradecahydro-1H-indeno[1,2-b]quinoline
CID 164681334
9-(3-cyclohexylcyclohexyl)-3-[9-(3-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(4-cyclohexylcyclohexyl)-3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 161252152
2-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 118228717
(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
CID 126565755
9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 155326548
3-[3-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)cyclohexyl]-9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 159703470
(4aR,8aS,9aS,10aR)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridin-9-ol
CID 125496028
11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane
CID 138727381

Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-azatricyclo[10.7.1.02,10]icosane?
The IUPAC name of 11-methyl-11-azatricyclo[10.7.1.02,10]icosane (CID 166832080) is 11-methyl-11-azatricyclo[10.7.1.02,10]icosane.
What is the SMILES notation for 11-methyl-11-azatricyclo[10.7.1.02,10]icosane?
The canonical SMILES for 11-methyl-11-azatricyclo[10.7.1.02,10]icosane is CN1C2CCCCCCCC(C2)C2CCCCCCCC21.
What is the InChIKey of 11-methyl-11-azatricyclo[10.7.1.02,10]icosane?
The InChIKey is ONPJFCXGNQYSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-21-18-13-9-5-2-4-8-12-17(16-18)19-14-10-6-3-7-11-15-20(19)21/h17-20H,2-16H2,1H3.
What are the key properties of 11-methyl-11-azatricyclo[10.7.1.02,10]icosane?
11-methyl-11-azatricyclo[10.7.1.02,10]icosane has a molecular weight of 291.52 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11-azatricyclo[10.7.1.02,10]icosane is sourced from PubChem (CID 166832080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).