4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine

C16H29NO2 — CID 134204070

IUPAC4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine
SMILESCC1CC2CCC(OCCN3CCOCC3)C(C1)C2
InChIInChI=1S/C16H29NO2/c1-13-10-14-2-3-16(15(11-13)12-14)19-9-6-17-4-7-18-8-5-17/h13-16H,2-12H2,1H3
InChIKeyMOLHSTXIABSGIA-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.55
Rot. Bonds4

About 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine

4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine (PubChem CID 134204070) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine
PubChem CID134204070
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine
SMILESCC1CC2CCC(OCCN3CCOCC3)C(C1)C2
InChIInChI=1S/C16H29NO2/c1-13-10-14-2-3-16(15(11-13)12-14)19-9-6-17-4-7-18-8-5-17/h13-16H,2-12H2,1H3
InChIKeyMOLHSTXIABSGIA-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine (CID 134204070) is 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine is CC1CC2CCC(OCCN3CCOCC3)C(C1)C2.
What is the InChIKey of 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine?
The InChIKey is MOLHSTXIABSGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-10-14-2-3-16(15(11-13)12-14)19-9-6-17-4-7-18-8-5-17/h13-16H,2-12H2,1H3.
What are the key properties of 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine?
4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine has a molecular weight of 267.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(7-methyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]morpholine is sourced from PubChem (CID 134204070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).