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

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Related Compounds

4-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,2,2-trimethyloxan-4-amine
CID 3295144
4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360405
1-[cyclopropyl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360407
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360422
1-[2-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-nitrosopiperazine
CID 3312555
4-(1-{1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}cyclohexyl)morpholine
CID 3104507
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11698380
(4-{(4-Benzyl-piperazin-1-yl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 648702
4-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-morpholine
CID 650533
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-1-phenylmethanimine
CID 5052216
1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-phenyl-piperazine
CID 9549391

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).