6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane

C11H19NO — CID 176800871

IUPAC6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane
SMILESCC(C)C12CCCN1C1CCC2O1
InChIInChI=1S/C11H19NO/c1-8(2)11-6-3-7-12(11)10-5-4-9(11)13-10/h8-10H,3-7H2,1-2H3
InChIKeyZZNRFBLPEQNXRN-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.00
Rot. Bonds1

About 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane

6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane (PubChem CID 176800871) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane
PubChem CID176800871
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane
SMILESCC(C)C12CCCN1C1CCC2O1
InChIInChI=1S/C11H19NO/c1-8(2)11-6-3-7-12(11)10-5-4-9(11)13-10/h8-10H,3-7H2,1-2H3
InChIKeyZZNRFBLPEQNXRN-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-11-oxa-2-azatricyclo[6.2.1.02,6]undecane
CID 176800715
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CID 167428096
7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
CID 71436217
5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane
CID 178173208
(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
CID 176727365
3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane
CID 176800760
2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine
CID 170602039
4-methyl-3a-propan-2-yl-2,3,6,6a-tetrahydrofuro[3,2-b]pyrrol-5-one
CID 167428021
2-(2,2-dimethylpyrrolidin-1-yl)cyclopentan-1-amine
CID 63220033
ethane;4-propan-2-yl-4-azaspiro[2.4]heptane
CID 170635118
1-cyclohexylazetidine;2-methylpropane
CID 178017193
2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 130513924

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane?
The IUPAC name of 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane (CID 176800871) is 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane is CC(C)C12CCCN1C1CCC2O1.
What is the InChIKey of 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane?
The InChIKey is ZZNRFBLPEQNXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)11-6-3-7-12(11)10-5-4-9(11)13-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane?
6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane has a molecular weight of 181.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 176800871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).