N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide

C10H18N2O — CID 65471104

IUPACN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide
SMILESCN1C2CCCC1CC(NC=O)C2
InChIInChI=1S/C10H18N2O/c1-12-9-3-2-4-10(12)6-8(5-9)11-7-13/h7-10H,2-6H2,1H3,(H,11,13)
InChIKeyADVGFYCVMOCJHR-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.75
Rot. Bonds2

About N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide (PubChem CID 65471104) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide.

Molecular Properties

Compound NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide
PubChem CID65471104
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide
SMILESCN1C2CCCC1CC(NC=O)C2
InChIInChI=1S/C10H18N2O/c1-12-9-3-2-4-10(12)6-8(5-9)11-7-13/h7-10H,2-6H2,1H3,(H,11,13)
InChIKeyADVGFYCVMOCJHR-UHFFFAOYSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide?
The IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide (CID 65471104) is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide.
What is the SMILES notation for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide?
The canonical SMILES for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide is CN1C2CCCC1CC(NC=O)C2.
What is the InChIKey of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide?
The InChIKey is ADVGFYCVMOCJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-9-3-2-4-10(12)6-8(5-9)11-7-13/h7-10H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide?
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide has a molecular weight of 182.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide is sourced from PubChem (CID 65471104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).