3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane

C12H21NO — CID 168720655

IUPAC3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane
SMILESCC(C)OC12CC3CC(CN(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-9(2)14-12-4-10-3-11(5-12)7-13(6-10)8-12/h9-11H,3-8H2,1-2H3
InChIKeyYULZKKITPLGJFA-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.90
Rot. Bonds2

About 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane

3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane (PubChem CID 168720655) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane
PubChem CID168720655
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane
SMILESCC(C)OC12CC3CC(CN(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-9(2)14-12-4-10-3-11(5-12)7-13(6-10)8-12/h9-11H,3-8H2,1-2H3
InChIKeyYULZKKITPLGJFA-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-3-methylbutan-2-yl]oxyadamantane
CID 71229319
adamantane;1-azatricyclo[3.3.1.13,7]decane;methane;bis(2-methylpropane)
CID 161327785
(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane
CID 126641157
3-(4-methylphenyl)-1-azatricyclo[3.3.1.13,7]decane
CID 166814628
1-methoxyadamantane
CID 584854
3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane
CID 44590878
bis(1-adamantyl) 2,4-dimethyl-3-oxopentanedioate
CID 10972269
trans-(1R,2S)-2-methyl-2-propan-2-yloxycyclopropan-1-amine
CID 125424211
2-methyl-2-propan-2-yloxycyclopropan-1-amine
CID 131476387
2-[4-(1-azatricyclo[3.3.1.13,7]decan-3-yl)-3-oxobutan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 160543721
1-(1-adamantyloxy)prop-2-en-1-ol
CID 126575826
1-propan-2-yladamantane;1-propan-2-ylbicyclo[1.1.1]pentane
CID 159977923

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane (CID 168720655) is 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane is CC(C)OC12CC3CC(CN(C3)C1)C2.
What is the InChIKey of 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane?
The InChIKey is YULZKKITPLGJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)14-12-4-10-3-11(5-12)7-13(6-10)8-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane?
3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane has a molecular weight of 195.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 168720655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).