2-methyl-2-azatricyclo[11.7.0.03,9]icosane

C20H37N — CID 155380713

IUPAC2-methyl-2-azatricyclo[11.7.0.03,9]icosane
SMILESCN1C2CCCCCCCC2CCCC2CCCCCC21
InChIInChI=1S/C20H37N/c1-21-19-15-8-4-2-3-6-11-17(19)13-10-14-18-12-7-5-9-16-20(18)21/h17-20H,2-16H2,1H3
InChIKeyFAESJLSXWYPHPX-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.78
Rot. Bonds

About 2-methyl-2-azatricyclo[11.7.0.03,9]icosane

2-methyl-2-azatricyclo[11.7.0.03,9]icosane (PubChem CID 155380713) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 2-methyl-2-azatricyclo[11.7.0.03,9]icosane.

Molecular Properties

Compound Name2-methyl-2-azatricyclo[11.7.0.03,9]icosane
PubChem CID155380713
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name2-methyl-2-azatricyclo[11.7.0.03,9]icosane
SMILESCN1C2CCCCCCCC2CCCC2CCCCCC21
InChIInChI=1S/C20H37N/c1-21-19-15-8-4-2-3-6-11-17(19)13-10-14-18-12-7-5-9-16-20(18)21/h17-20H,2-16H2,1H3
InChIKeyFAESJLSXWYPHPX-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

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ethane;8-methyl-8-azabicyclo[5.1.0]octane
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5,10-dimethyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenazine
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1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471931
(4aS,5aS,9aR,10aR)-10-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazine
CID 7707597
(4aS,5aR,9aS,10aR)-10-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazine
CID 7707595
(4aS,5aR,9aS,10aS)-10-methyl-1,2,3,4,4a,5a,6,7,8,9,9a,10a-dodecahydrophenothiazine
CID 11913752
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
(2R,3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 11286855
(3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane
CID 163972586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azatricyclo[11.7.0.03,9]icosane?
The IUPAC name of 2-methyl-2-azatricyclo[11.7.0.03,9]icosane (CID 155380713) is 2-methyl-2-azatricyclo[11.7.0.03,9]icosane.
What is the SMILES notation for 2-methyl-2-azatricyclo[11.7.0.03,9]icosane?
The canonical SMILES for 2-methyl-2-azatricyclo[11.7.0.03,9]icosane is CN1C2CCCCCCCC2CCCC2CCCCCC21.
What is the InChIKey of 2-methyl-2-azatricyclo[11.7.0.03,9]icosane?
The InChIKey is FAESJLSXWYPHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-21-19-15-8-4-2-3-6-11-17(19)13-10-14-18-12-7-5-9-16-20(18)21/h17-20H,2-16H2,1H3.
What are the key properties of 2-methyl-2-azatricyclo[11.7.0.03,9]icosane?
2-methyl-2-azatricyclo[11.7.0.03,9]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 2-methyl-2-azatricyclo[11.7.0.03,9]icosane is sourced from PubChem (CID 155380713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).