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

C21H25N5 — CID 2829506

IUPACN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCc1cccc(C)c1-n1nnnc1C1(Nc2ccccc2)CCCCC1
InChIInChI=1S/C21H25N5/c1-16-10-9-11-17(2)19(16)26-20(23-24-25-26)21(14-7-4-8-15-21)22-18-12-5-3-6-13-18/h3,5-6,9-13,22H,4,7-8,14-15H2,1-2H3
InChIKeySLRFFXWICPLLSM-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.55
Rot. Bonds4

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

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline (PubChem CID 2829506) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline.

Molecular Properties

Compound NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
PubChem CID2829506
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCc1cccc(C)c1-n1nnnc1C1(Nc2ccccc2)CCCCC1
InChIInChI=1S/C21H25N5/c1-16-10-9-11-17(2)19(16)26-20(23-24-25-26)21(14-7-4-8-15-21)22-18-12-5-3-6-13-18/h3,5-6,9-13,22H,4,7-8,14-15H2,1-2H3
InChIKeySLRFFXWICPLLSM-UHFFFAOYSA-N
XLogP4.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole, 1,5-diphenyl-
CID 139033
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
1-(2-Methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
CID 872287
1,5-bis(3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 1474273
2-chloro-N-{2-[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]butan-2-yl}-N-nitrosoaniline
CID 3521510
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
{1-[1-(2,6-Dimethyl-phenyl)-1H-tetrazol-5-yl]-cyclohexyl}-p-tolyl-amine
CID 3115318
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11698380

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The IUPAC name of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline (CID 2829506) is N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline.
What is the SMILES notation for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The canonical SMILES for N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline is Cc1cccc(C)c1-n1nnnc1C1(Nc2ccccc2)CCCCC1.
What is the InChIKey of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The InChIKey is SLRFFXWICPLLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-10-9-11-17(2)19(16)26-20(23-24-25-26)21(14-7-4-8-15-21)22-18-12-5-3-6-13-18/h3,5-6,9-13,22H,4,7-8,14-15H2,1-2H3.
What are the key properties of N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline has a molecular weight of 347.47 g/mol, XLogP of 4.55, 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]aniline is sourced from PubChem (CID 2829506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).