7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine

C11H22N2O — CID 174360435

IUPAC7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)NC1C2COCC1CN(C)C2
InChIInChI=1S/C11H22N2O/c1-8(2)12-11-9-4-13(3)5-10(11)7-14-6-9/h8-12H,4-7H2,1-3H3
InChIKeyYBIPLKZEFITKNG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.56
Rot. Bonds2

About 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine

7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 174360435) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound Name7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine
PubChem CID174360435
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)NC1C2COCC1CN(C)C2
InChIInChI=1S/C11H22N2O/c1-8(2)12-11-9-4-13(3)5-10(11)7-14-6-9/h8-12H,4-7H2,1-3H3
InChIKeyYBIPLKZEFITKNG-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine (CID 174360435) is 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine is CC(C)NC1C2COCC1CN(C)C2.
What is the InChIKey of 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is YBIPLKZEFITKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)12-11-9-4-13(3)5-10(11)7-14-6-9/h8-12H,4-7H2,1-3H3.
What are the key properties of 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine?
7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 198.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-propan-2-yl-3-oxa-7-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 174360435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).