3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline

C16H23N5 — CID 62406509

IUPAC3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline
SMILESCc1ccc(N)cc1-c1nnnn1C(C)C1CCCCC1
InChIInChI=1S/C16H23N5/c1-11-8-9-14(17)10-15(11)16-18-19-20-21(16)12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7,17H2,1-2H3
InChIKeyPREMOIAMYIQDBA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.37
Rot. Bonds3

About 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline

3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline (PubChem CID 62406509) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline.

Molecular Properties

Compound Name3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline
PubChem CID62406509
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline
SMILESCc1ccc(N)cc1-c1nnnn1C(C)C1CCCCC1
InChIInChI=1S/C16H23N5/c1-11-8-9-14(17)10-15(11)16-18-19-20-21(16)12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7,17H2,1-2H3
InChIKeyPREMOIAMYIQDBA-UHFFFAOYSA-N
XLogP3.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.37
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

3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline
CID 103298181
5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706366
5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706416
3-chloro-4-[1-(1-cyclopropylethyl)tetrazol-5-yl]aniline
CID 61376821
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650
4-methyl-3-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline
CID 61470520
5-bromo-3-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2-methylaniline
CID 107874058
4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline
CID 61376822
1-(1-cyclopentylethyl)tetrazol-5-amine
CID 79506419
3-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 61352252
4-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61477974
4-methoxy-3-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 61376228

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline?
The IUPAC name of 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline (CID 62406509) is 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline.
What is the SMILES notation for 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline?
The canonical SMILES for 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline is Cc1ccc(N)cc1-c1nnnn1C(C)C1CCCCC1.
What is the InChIKey of 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline?
The InChIKey is PREMOIAMYIQDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11-8-9-14(17)10-15(11)16-18-19-20-21(16)12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7,17H2,1-2H3.
What are the key properties of 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline?
3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline has a molecular weight of 285.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline is sourced from PubChem (CID 62406509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).