(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane

C10H19NO — CID 176594070

IUPAC(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CC(C)(CO2)C1
InChIInChI=1S/C10H19NO/c1-8(2)11-5-9-4-10(3,6-11)7-12-9/h8-9H,4-7H2,1-3H3/t9-,10?/m1/s1
InChIKeyCPZPAICKKHOMMU-YHMJZVADSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds1

About (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane

(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 176594070) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
PubChem CID176594070
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CC(C)(CO2)C1
InChIInChI=1S/C10H19NO/c1-8(2)11-5-9-4-10(3,6-11)7-12-9/h8-9H,4-7H2,1-3H3/t9-,10?/m1/s1
InChIKeyCPZPAICKKHOMMU-YHMJZVADSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-1-methyl-3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
CID 168795726
5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine
CID 174171326
(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 153498477
(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine
CID 157420520
3a-methyl-5-propan-2-yl-1,2,3,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 155392390
(3aR,6aS)-2-[(3-methyloxetan-3-yl)methyl]-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 146201415
4-methyl-8-propan-2-yl-5,8-diazatricyclo[4.3.0.01,3]nonane
CID 139548143
(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 98114726
3,4,4,5-tetramethyl-1-propan-2-ylpiperidine
CID 121288182
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
CID 169193368
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229
(4aS,7aS)-6-propan-2-yl-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole
CID 129088215

Frequently Asked Questions

What is the IUPAC name of (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane (CID 176594070) is (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane is CC(C)N1C[C@H]2CC(C)(CO2)C1.
What is the InChIKey of (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is CPZPAICKKHOMMU-YHMJZVADSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)11-5-9-4-10(3,6-11)7-12-9/h8-9H,4-7H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane?
(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 169.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176594070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).