3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline

C21H25N5 — CID 30312170

IUPAC3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCc1cccc(NC2(c3nnnn3-c3ccccc3C)CCCCC2)c1
InChIInChI=1S/C21H25N5/c1-16-9-8-11-18(15-16)22-21(13-6-3-7-14-21)20-23-24-25-26(20)19-12-5-4-10-17(19)2/h4-5,8-12,15,22H,3,6-7,13-14H2,1-2H3
InChIKeyWINJRDCGHXKJMK-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.55
Rot. Bonds4

About 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline

3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline (PubChem CID 30312170) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
PubChem CID30312170
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
SMILESCc1cccc(NC2(c3nnnn3-c3ccccc3C)CCCCC2)c1
InChIInChI=1S/C21H25N5/c1-16-9-8-11-18(15-16)22-21(13-6-3-7-14-21)20-23-24-25-26(20)19-12-5-4-10-17(19)2/h4-5,8-12,15,22H,3,6-7,13-14H2,1-2H3
InChIKeyWINJRDCGHXKJMK-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

3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 50812242
3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30310073
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
CID 605453
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-4-methoxyaniline
CID 30309876
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-(trifluoromethyl)aniline
CID 50812642
4-bromo-N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 2829520
N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310310
3-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]amino]benzoate
CID 8022850
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The IUPAC name of 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline (CID 30312170) is 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline.
What is the SMILES notation for 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The canonical SMILES for 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline is Cc1cccc(NC2(c3nnnn3-c3ccccc3C)CCCCC2)c1.
What is the InChIKey of 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
The InChIKey is WINJRDCGHXKJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-9-8-11-18(15-16)22-21(13-6-3-7-14-21)20-23-24-25-26(20)19-12-5-4-10-17(19)2/h4-5,8-12,15,22H,3,6-7,13-14H2,1-2H3.
What are the key properties of 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline?
3-methyl-N-[1-[1-(2-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 3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline is sourced from PubChem (CID 30312170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).