5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline

C16H23N5 — CID 102706366

IUPAC5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline
SMILESCc1cc(C)c(-c2nnnn2C(C)C2CCCC2)cc1N
InChIInChI=1S/C16H23N5/c1-10-8-11(2)15(17)9-14(10)16-18-19-20-21(16)12(3)13-6-4-5-7-13/h8-9,12-13H,4-7,17H2,1-3H3
InChIKeyIELFHXFGAADLTB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.29
Rot. Bonds3

About 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline

5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline (PubChem CID 102706366) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline.

Molecular Properties

Compound Name5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline
PubChem CID102706366
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline
SMILESCc1cc(C)c(-c2nnnn2C(C)C2CCCC2)cc1N
InChIInChI=1S/C16H23N5/c1-10-8-11(2)15(17)9-14(10)16-18-19-20-21(16)12(3)13-6-4-5-7-13/h8-9,12-13H,4-7,17H2,1-3H3
InChIKeyIELFHXFGAADLTB-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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

5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706416
3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline
CID 62406509
3-[1-(1-cyclopentylethyl)tetrazol-5-yl]-4-fluoro-5-methylaniline
CID 103298181
5-bromo-3-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2-methylaniline
CID 107874058
2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline
CID 102706313
4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline
CID 61376822
1-(1-cyclopentylethyl)tetrazol-5-amine
CID 79506419
3-chloro-4-[1-(1-cyclopropylethyl)tetrazol-5-yl]aniline
CID 61376821
2,3-dichloro-5-[1-(1-cyclopropylethyl)tetrazol-5-yl]aniline
CID 61377975
2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
CID 102706381
2-[1-(dicyclopropylmethyl)tetrazol-5-yl]-4-methylaniline
CID 65456225
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
CID 102706325

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline?
The IUPAC name of 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline (CID 102706366) is 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline.
What is the SMILES notation for 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline?
The canonical SMILES for 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline is Cc1cc(C)c(-c2nnnn2C(C)C2CCCC2)cc1N.
What is the InChIKey of 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline?
The InChIKey is IELFHXFGAADLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10-8-11(2)15(17)9-14(10)16-18-19-20-21(16)12(3)13-6-4-5-7-13/h8-9,12-13H,4-7,17H2,1-3H3.
What are the key properties of 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline?
5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline has a molecular weight of 285.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline is sourced from PubChem (CID 102706366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).