N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline

C22H27N5 — CID 3115318

IUPACN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline
SMILESCc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C22H27N5/c1-16-10-12-19(13-11-16)23-22(14-5-4-6-15-22)21-24-25-26-27(21)20-17(2)8-7-9-18(20)3/h7-13,23H,4-6,14-15H2,1-3H3
InChIKeyGWIJYWJYUASNEM-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.86
Rot. Bonds4

About N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline (PubChem CID 3115318) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline
PubChem CID3115318
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline
SMILESCc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1
InChIInChI=1S/C22H27N5/c1-16-10-12-19(13-11-16)23-22(14-5-4-6-15-22)21-24-25-26-27(21)20-17(2)8-7-9-18(20)3/h7-13,23H,4-6,14-15H2,1-3H3
InChIKeyGWIJYWJYUASNEM-UHFFFAOYSA-N
XLogP4.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-aminophenyl)-1H-tetraazol-5-yl]phenylamine
CID 852671
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
1-(4-Tert-butylphenyl)-5-phenyltetrazole
CID 2732009
1-(2-Methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
CID 872287
1,5-bis(3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 1474273
N-{1-[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]cyclohexyl}aniline
CID 2829506
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360405
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline?
The IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline (CID 3115318) is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline.
What is the SMILES notation for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline?
The canonical SMILES for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline is Cc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCCCC2)cc1.
What is the InChIKey of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline?
The InChIKey is GWIJYWJYUASNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-16-10-12-19(13-11-16)23-22(14-5-4-6-15-22)21-24-25-26-27(21)20-17(2)8-7-9-18(20)3/h7-13,23H,4-6,14-15H2,1-3H3.
What are the key properties of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline?
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline has a molecular weight of 361.49 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methylaniline is sourced from PubChem (CID 3115318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).