4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine

C19H27N5O — CID 5233974

IUPAC4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine
SMILESCCc1cccc(C)c1-n1nnnc1C1(N2CCOCC2)CCCC1
InChIInChI=1S/C19H27N5O/c1-3-16-8-6-7-15(2)17(16)24-18(20-21-22-24)19(9-4-5-10-19)23-11-13-25-14-12-23/h6-8H,3-5,9-14H2,1-2H3
InChIKeyGMXSOFKQWQVMCJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.63
Rot. Bonds4

About 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine

4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine (PubChem CID 5233974) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine
PubChem CID5233974
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine
SMILESCCc1cccc(C)c1-n1nnnc1C1(N2CCOCC2)CCCC1
InChIInChI=1S/C19H27N5O/c1-3-16-8-6-7-15(2)17(16)24-18(20-21-22-24)19(9-4-5-10-19)23-11-13-25-14-12-23/h6-8H,3-5,9-14H2,1-2H3
InChIKeyGMXSOFKQWQVMCJ-UHFFFAOYSA-N
XLogP2.63
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine?
The IUPAC name of 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine (CID 5233974) is 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine.
What is the SMILES notation for 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine?
The canonical SMILES for 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine is CCc1cccc(C)c1-n1nnnc1C1(N2CCOCC2)CCCC1.
What is the InChIKey of 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine?
The InChIKey is GMXSOFKQWQVMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-16-8-6-7-15(2)17(16)24-18(20-21-22-24)19(9-4-5-10-19)23-11-13-25-14-12-23/h6-8H,3-5,9-14H2,1-2H3.
What are the key properties of 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine?
4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine has a molecular weight of 341.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]cyclopentyl]morpholine is sourced from PubChem (CID 5233974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).