(4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C11H21NO — CID 90142654

IUPAC(4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)CCCN1CC2C[C@@H]1CO2
InChIInChI=1S/C11H21NO/c1-9(2)4-3-5-12-7-11-6-10(12)8-13-11/h9-11H,3-8H2,1-2H3/t10-,11?/m1/s1
InChIKeyYOFZGOQEDDOGIJ-NFJWQWPMSA-N
MW183.30 g/mol
LogP1.90
Rot. Bonds4

About (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane

(4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 90142654) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID90142654
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)CCCN1CC2C[C@@H]1CO2
InChIInChI=1S/C11H21NO/c1-9(2)4-3-5-12-7-11-6-10(12)8-13-11/h9-11H,3-8H2,1-2H3/t10-,11?/m1/s1
InChIKeyYOFZGOQEDDOGIJ-NFJWQWPMSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 90142654) is (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane is CC(C)CCCN1CC2C[C@@H]1CO2.
What is the InChIKey of (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is YOFZGOQEDDOGIJ-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)4-3-5-12-7-11-6-10(12)8-13-11/h9-11H,3-8H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
(4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 183.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(4-methylpentyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 90142654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).