2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C20H28N2O — CID 70041976

IUPAC2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCN1C2CCCC1CC(c1ccc3c(c1C(N)=O)CCCC3)C2
InChIInChI=1S/C20H28N2O/c1-22-15-6-4-7-16(22)12-14(11-15)18-10-9-13-5-2-3-8-17(13)19(18)20(21)23/h9-10,14-16H,2-8,11-12H2,1H3,(H2,21,23)
InChIKeyATTZQIUNOKIMHH-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.39
Rot. Bonds2

About 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 70041976) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID70041976
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCN1C2CCCC1CC(c1ccc3c(c1C(N)=O)CCCC3)C2
InChIInChI=1S/C20H28N2O/c1-22-15-6-4-7-16(22)12-14(11-15)18-10-9-13-5-2-3-8-17(13)19(18)20(21)23/h9-10,14-16H,2-8,11-12H2,1H3,(H2,21,23)
InChIKeyATTZQIUNOKIMHH-UHFFFAOYSA-N
XLogP3.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 70041976) is 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide is CN1C2CCCC1CC(c1ccc3c(c1C(N)=O)CCCC3)C2.
What is the InChIKey of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ATTZQIUNOKIMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-22-15-6-4-7-16(22)12-14(11-15)18-10-9-13-5-2-3-8-17(13)19(18)20(21)23/h9-10,14-16H,2-8,11-12H2,1H3,(H2,21,23).
What are the key properties of 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 70041976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).