3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline

C20H23N5 — CID 30312166

IUPAC3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
SMILESCc1cccc(NC2(c3nnnn3-c3ccccc3)CCCCC2)c1
InChIInChI=1S/C20H23N5/c1-16-9-8-10-17(15-16)21-20(13-6-3-7-14-20)19-22-23-24-25(19)18-11-4-2-5-12-18/h2,4-5,8-12,15,21H,3,6-7,13-14H2,1H3
InChIKeyOAWZALXGEOFFSY-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.24
Rot. Bonds4

About 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline

3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline (PubChem CID 30312166) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
PubChem CID30312166
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
SMILESCc1cccc(NC2(c3nnnn3-c3ccccc3)CCCCC2)c1
InChIInChI=1S/C20H23N5/c1-16-9-8-10-17(15-16)21-20(13-6-3-7-14-20)19-22-23-24-25(19)18-11-4-2-5-12-18/h2,4-5,8-12,15,21H,3,6-7,13-14H2,1H3
InChIKeyOAWZALXGEOFFSY-UHFFFAOYSA-N
XLogP4.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30310073
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 50812242
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
3-methoxy-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30309923
4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 40530101
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-methoxyaniline
CID 605453
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
The IUPAC name of 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline (CID 30312166) is 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline.
What is the SMILES notation for 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
The canonical SMILES for 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline is Cc1cccc(NC2(c3nnnn3-c3ccccc3)CCCCC2)c1.
What is the InChIKey of 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
The InChIKey is OAWZALXGEOFFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-16-9-8-10-17(15-16)21-20(13-6-3-7-14-20)19-22-23-24-25(19)18-11-4-2-5-12-18/h2,4-5,8-12,15,21H,3,6-7,13-14H2,1H3.
What are the key properties of 3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline?
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline has a molecular weight of 333.44 g/mol, XLogP of 4.24, 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-phenyltetrazol-5-yl)cyclohexyl]aniline is sourced from PubChem (CID 30312166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).