4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline

C16H23N5 — CID 64733099

IUPAC4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nnnn2C2CC(C)CC(C)C2)ccc1N
InChIInChI=1S/C16H23N5/c1-10-6-11(2)8-14(7-10)21-16(18-19-20-21)13-4-5-15(17)12(3)9-13/h4-5,9-11,14H,6-8,17H2,1-3H3
InChIKeyUSNFLNPJUXPGRV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.23
Rot. Bonds2

About 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline

4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline (PubChem CID 64733099) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline
PubChem CID64733099
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nnnn2C2CC(C)CC(C)C2)ccc1N
InChIInChI=1S/C16H23N5/c1-10-6-11(2)8-14(7-10)21-16(18-19-20-21)13-4-5-15(17)12(3)9-13/h4-5,9-11,14H,6-8,17H2,1-3H3
InChIKeyUSNFLNPJUXPGRV-UHFFFAOYSA-N
XLogP3.23
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550889
4-chloro-2-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 64733879
4-[1-(1,1-dioxothiolan-3-yl)tetrazol-5-yl]-2-methylaniline
CID 61353686
2-fluoro-5-[1-(3-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61353432
3-methyl-2-[1-(3-methylcyclobutyl)tetrazol-5-yl]aniline
CID 113467452
2-bromo-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61376603
3-chloro-4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 64733486
2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
CID 113485907
4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline
CID 61376822
5-(1-cyclobutyltetrazol-5-yl)-2-ethoxyaniline
CID 62415801
2-chloro-4-[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 82779853
2-methyl-4-(1-propan-2-yltetrazol-5-yl)aniline
CID 61352852

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline (CID 64733099) is 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline is Cc1cc(-c2nnnn2C2CC(C)CC(C)C2)ccc1N.
What is the InChIKey of 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline?
The InChIKey is USNFLNPJUXPGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10-6-11(2)8-14(7-10)21-16(18-19-20-21)13-4-5-15(17)12(3)9-13/h4-5,9-11,14H,6-8,17H2,1-3H3.
What are the key properties of 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline?
4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline has a molecular weight of 285.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 64733099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).