4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine

C18H27N5O — CID 3840584

IUPAC4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine
SMILESCc1cccc(C)c1-n1nnnc1C(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H27N5O/c1-13(2)12-16(22-8-10-24-11-9-22)18-19-20-21-23(18)17-14(3)6-5-7-15(17)4/h5-7,13,16H,8-12H2,1-4H3
InChIKeyCCBLFSKMNCIXAR-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.70
Rot. Bonds5

About 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine

4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine (PubChem CID 3840584) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine
PubChem CID3840584
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine
SMILESCc1cccc(C)c1-n1nnnc1C(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H27N5O/c1-13(2)12-16(22-8-10-24-11-9-22)18-19-20-21-23(18)17-14(3)6-5-7-15(17)4/h5-7,13,16H,8-12H2,1-4H3
InChIKeyCCBLFSKMNCIXAR-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(S)-(2-chlorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]morpholine
CID 30104890
[(1R)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]-dimethylazanium
CID 7073073
4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
CID 51695117
4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol
CID 7071990
1-(2,3-dimethylphenyl)-4-[(1S)-3-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 7388935
[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
dibenzyl-[(1S)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-methylpropyl]azanium
CID 7073477
N-[1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084748
4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine
CID 4639789
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
8-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360793
1-(2,6-dimethylphenyl)-5-propan-2-ylsulfanyltetrazole
CID 47110053

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine?
The IUPAC name of 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine (CID 3840584) is 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine.
What is the SMILES notation for 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine?
The canonical SMILES for 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine is Cc1cccc(C)c1-n1nnnc1C(CC(C)C)N1CCOCC1.
What is the InChIKey of 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine?
The InChIKey is CCBLFSKMNCIXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13(2)12-16(22-8-10-24-11-9-22)18-19-20-21-23(18)17-14(3)6-5-7-15(17)4/h5-7,13,16H,8-12H2,1-4H3.
What are the key properties of 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine?
4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine has a molecular weight of 329.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-methylbutyl]morpholine is sourced from PubChem (CID 3840584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).