N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine

C9H18N2O — CID 142643346

IUPACN-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine
SMILESCONC12CCCC(CC1)N2C
InChIInChI=1S/C9H18N2O/c1-11-8-4-3-6-9(11,7-5-8)10-12-2/h8,10H,3-7H2,1-2H3
InChIKeyDDCSVHNXWUMDMC-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.11
Rot. Bonds2

About N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine

N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine (PubChem CID 142643346) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine.

Molecular Properties

Compound NameN-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine
PubChem CID142643346
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine
SMILESCONC12CCCC(CC1)N2C
InChIInChI=1S/C9H18N2O/c1-11-8-4-3-6-9(11,7-5-8)10-12-2/h8,10H,3-7H2,1-2H3
InChIKeyDDCSVHNXWUMDMC-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-8-methyl-8-azabicyclo[3.2.1]octan-1-amine?
The IUPAC name of N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine (CID 142643346) is N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine.
What is the SMILES notation for N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine?
The canonical SMILES for N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine is CONC12CCCC(CC1)N2C.
What is the InChIKey of N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine?
The InChIKey is DDCSVHNXWUMDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-8-4-3-6-9(11,7-5-8)10-12-2/h8,10H,3-7H2,1-2H3.
What are the key properties of N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine?
N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine has a molecular weight of 170.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-1-amine is sourced from PubChem (CID 142643346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).