4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline

C21H25N5 — CID 40530101

IUPAC4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCc1ccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCCC2)cc1
InChIInChI=1S/C21H25N5/c1-16-6-10-18(11-7-16)22-21(14-4-3-5-15-21)20-23-24-25-26(20)19-12-8-17(2)9-13-19/h6-13,22H,3-5,14-15H2,1-2H3
InChIKeyHHELPBWEXWNHCR-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.55
Rot. Bonds4

About 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline

4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline (PubChem CID 40530101) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
PubChem CID40530101
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCc1ccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCCC2)cc1
InChIInChI=1S/C21H25N5/c1-16-6-10-18(11-7-16)22-21(14-4-3-5-15-21)20-23-24-25-26(20)19-12-8-17(2)9-13-19/h6-13,22H,3-5,14-15H2,1-2H3
InChIKeyHHELPBWEXWNHCR-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The IUPAC name of 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline (CID 40530101) is 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline.
What is the SMILES notation for 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The canonical SMILES for 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline is Cc1ccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The InChIKey is HHELPBWEXWNHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-6-10-18(11-7-16)22-21(14-4-3-5-15-21)20-23-24-25-26(20)19-12-8-17(2)9-13-19/h6-13,22H,3-5,14-15H2,1-2H3.
What are the key properties of 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
4-methyl-N-[1-[1-(4-methylphenyl)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 4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline is sourced from PubChem (CID 40530101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).