9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

C11H22N2O — CID 21478745

IUPAC9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESCC(C)(C)N1C2COCC1CC(N)C2
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-9-4-8(12)5-10(13)7-14-6-9/h8-10H,4-7,12H2,1-3H3
InChIKeyKUVMSAWRJBDSGK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds

About 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (PubChem CID 21478745) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.

Molecular Properties

Compound Name9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
PubChem CID21478745
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESCC(C)(C)N1C2COCC1CC(N)C2
InChIInChI=1S/C11H22N2O/c1-11(2,3)13-9-4-8(12)5-10(13)7-14-6-9/h8-10H,4-7,12H2,1-3H3
InChIKeyKUVMSAWRJBDSGK-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The IUPAC name of 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (CID 21478745) is 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.
What is the SMILES notation for 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The canonical SMILES for 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is CC(C)(C)N1C2COCC1CC(N)C2.
What is the InChIKey of 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The InChIKey is KUVMSAWRJBDSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,3)13-9-4-8(12)5-10(13)7-14-6-9/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is sourced from PubChem (CID 21478745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).