N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine

C12H23NO — CID 155348980

IUPACN-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine
SMILESCONC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C12H23NO/c1-8-4-10-6-9(2)12(13-14-3)11(5-8)7-10/h8-13H,4-7H2,1-3H3
InChIKeyQGSHCZDJPRMRJN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.60
Rot. Bonds2

About N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine

N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine (PubChem CID 155348980) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine.

Molecular Properties

Compound NameN-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine
PubChem CID155348980
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine
SMILESCONC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C12H23NO/c1-8-4-10-6-9(2)12(13-14-3)11(5-8)7-10/h8-13H,4-7H2,1-3H3
InChIKeyQGSHCZDJPRMRJN-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine?
The IUPAC name of N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine (CID 155348980) is N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine.
What is the SMILES notation for N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine?
The canonical SMILES for N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine is CONC1C(C)CC2CC(C)CC1C2.
What is the InChIKey of N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine?
The InChIKey is QGSHCZDJPRMRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8-4-10-6-9(2)12(13-14-3)11(5-8)7-10/h8-13H,4-7H2,1-3H3.
What are the key properties of N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine?
N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3,7-dimethylbicyclo[3.3.1]nonan-2-amine is sourced from PubChem (CID 155348980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).