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

C18H27N5O — CID 3093131

IUPAC4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
SMILESCCc1cccc(C)c1-n1nnnc1C(C)(CC)N1CCOCC1
InChIInChI=1S/C18H27N5O/c1-5-15-9-7-8-14(3)16(15)23-17(19-20-21-23)18(4,6-2)22-10-12-24-13-11-22/h7-9H,5-6,10-13H2,1-4H3
InChIKeyMAHXDMGSJVRZJB-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.49
Rot. Bonds5

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

4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine (PubChem CID 3093131) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
PubChem CID3093131
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
SMILESCCc1cccc(C)c1-n1nnnc1C(C)(CC)N1CCOCC1
InChIInChI=1S/C18H27N5O/c1-5-15-9-7-8-14(3)16(15)23-17(19-20-21-23)18(4,6-2)22-10-12-24-13-11-22/h7-9H,5-6,10-13H2,1-4H3
InChIKeyMAHXDMGSJVRZJB-UHFFFAOYSA-N
XLogP2.49
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
The IUPAC name of 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine (CID 3093131) is 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine.
What is the SMILES notation for 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
The canonical SMILES for 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine is CCc1cccc(C)c1-n1nnnc1C(C)(CC)N1CCOCC1.
What is the InChIKey of 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
The InChIKey is MAHXDMGSJVRZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-5-15-9-7-8-14(3)16(15)23-17(19-20-21-23)18(4,6-2)22-10-12-24-13-11-22/h7-9H,5-6,10-13H2,1-4H3.
What are the key properties of 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine has a molecular weight of 329.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine is sourced from PubChem (CID 3093131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).