1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide

C18H32N2O — CID 127795927

IUPAC1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1(C)CCCCCC1)C2
InChIInChI=1S/C18H32N2O/c1-18(10-5-3-4-6-11-18)17(21)19-14-12-15-8-7-9-16(13-14)20(15)2/h14-16H,3-13H2,1-2H3,(H,19,21)
InChIKeyCFMBVFVTQBMFBB-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.48
Rot. Bonds2

About 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide

1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide (PubChem CID 127795927) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide
PubChem CID127795927
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1(C)CCCCCC1)C2
InChIInChI=1S/C18H32N2O/c1-18(10-5-3-4-6-11-18)17(21)19-14-12-15-8-7-9-16(13-14)20(15)2/h14-16H,3-13H2,1-2H3,(H,19,21)
InChIKeyCFMBVFVTQBMFBB-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide?
The IUPAC name of 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide (CID 127795927) is 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide is CN1C2CCCC1CC(NC(=O)C1(C)CCCCCC1)C2.
What is the InChIKey of 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide?
The InChIKey is CFMBVFVTQBMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-18(10-5-3-4-6-11-18)17(21)19-14-12-15-8-7-9-16(13-14)20(15)2/h14-16H,3-13H2,1-2H3,(H,19,21).
What are the key properties of 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide?
1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cycloheptane-1-carboxamide is sourced from PubChem (CID 127795927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).