N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

C10H20N2O — CID 129189914

IUPACN-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESCCNC1CC2COCC(C1)N2C
InChIInChI=1S/C10H20N2O/c1-3-11-8-4-9-6-13-7-10(5-8)12(9)2/h8-11H,3-7H2,1-2H3
InChIKeyVGNWQZOTKLNICL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds2

About N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (PubChem CID 129189914) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.

Molecular Properties

Compound NameN-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
PubChem CID129189914
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESCCNC1CC2COCC(C1)N2C
InChIInChI=1S/C10H20N2O/c1-3-11-8-4-9-6-13-7-10(5-8)12(9)2/h8-11H,3-7H2,1-2H3
InChIKeyVGNWQZOTKLNICL-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The IUPAC name of N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (CID 129189914) is N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.
What is the SMILES notation for N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The canonical SMILES for N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is CCNC1CC2COCC(C1)N2C.
What is the InChIKey of N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The InChIKey is VGNWQZOTKLNICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-11-8-4-9-6-13-7-10(5-8)12(9)2/h8-11H,3-7H2,1-2H3.
What are the key properties of N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine has a molecular weight of 184.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is sourced from PubChem (CID 129189914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).