6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane

C14H25NO — CID 140709119

IUPAC6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane
SMILESCC(C)C1CCC(N2C3COCC2C3)CC1
InChIInChI=1S/C14H25NO/c1-10(2)11-3-5-12(6-4-11)15-13-7-14(15)9-16-8-13/h10-14H,3-9H2,1-2H3
InChIKeyIYRBYJVGERRSDJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.67
Rot. Bonds2

About 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane

6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane (PubChem CID 140709119) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane
PubChem CID140709119
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane
SMILESCC(C)C1CCC(N2C3COCC2C3)CC1
InChIInChI=1S/C14H25NO/c1-10(2)11-3-5-12(6-4-11)15-13-7-14(15)9-16-8-13/h10-14H,3-9H2,1-2H3
InChIKeyIYRBYJVGERRSDJ-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane (CID 140709119) is 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane is CC(C)C1CCC(N2C3COCC2C3)CC1.
What is the InChIKey of 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane?
The InChIKey is IYRBYJVGERRSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(2)11-3-5-12(6-4-11)15-13-7-14(15)9-16-8-13/h10-14H,3-9H2,1-2H3.
What are the key properties of 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane?
6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane has a molecular weight of 223.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylcyclohexyl)-3-oxa-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 140709119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).