(1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine

C10H20N2O — CID 166882094

IUPAC(1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
SMILESCC(C)(C)N1C[C@H]2C[C@H](N)[C@@H](C1)O2
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-5-7-4-8(11)9(6-12)13-7/h7-9H,4-6,11H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyQLDGBFAQYFAEMZ-HRDYMLBCSA-N
MW184.28 g/mol
LogP0.59
Rot. Bonds

About (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine

(1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine (PubChem CID 166882094) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine.

Molecular Properties

Compound Name(1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
PubChem CID166882094
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
SMILESCC(C)(C)N1C[C@H]2C[C@H](N)[C@@H](C1)O2
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-5-7-4-8(11)9(6-12)13-7/h7-9H,4-6,11H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyQLDGBFAQYFAEMZ-HRDYMLBCSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
The IUPAC name of (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine (CID 166882094) is (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine.
What is the SMILES notation for (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
The canonical SMILES for (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine is CC(C)(C)N1C[C@H]2C[C@H](N)[C@@H](C1)O2.
What is the InChIKey of (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
The InChIKey is QLDGBFAQYFAEMZ-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)12-5-7-4-8(11)9(6-12)13-7/h7-9H,4-6,11H2,1-3H3/t7-,8+,9-/m1/s1.
What are the key properties of (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine?
(1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine is sourced from PubChem (CID 166882094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).