3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane

C20H35NO — CID 129146206

IUPAC3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane
SMILESCC(CCC(C)(C)C1C2CCC1COC2)N1CC2CC(C2)C1
InChIInChI=1S/C20H35NO/c1-14(21-10-15-8-16(9-15)11-21)6-7-20(2,3)19-17-4-5-18(19)13-22-12-17/h14-19H,4-13H2,1-3H3
InChIKeyXUYXKFSHJGWOOU-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.20
Rot. Bonds5

About 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane

3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane (PubChem CID 129146206) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane
PubChem CID129146206
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane
SMILESCC(CCC(C)(C)C1C2CCC1COC2)N1CC2CC(C2)C1
InChIInChI=1S/C20H35NO/c1-14(21-10-15-8-16(9-15)11-21)6-7-20(2,3)19-17-4-5-18(19)13-22-12-17/h14-19H,4-13H2,1-3H3
InChIKeyXUYXKFSHJGWOOU-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane (CID 129146206) is 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane is CC(CCC(C)(C)C1C2CCC1COC2)N1CC2CC(C2)C1.
What is the InChIKey of 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane?
The InChIKey is XUYXKFSHJGWOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-14(21-10-15-8-16(9-15)11-21)6-7-20(2,3)19-17-4-5-18(19)13-22-12-17/h14-19H,4-13H2,1-3H3.
What are the key properties of 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane?
3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane has a molecular weight of 305.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-5-(3-oxabicyclo[3.2.1]octan-8-yl)hexan-2-yl]-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 129146206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).