2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline

C16H23N5 — CID 102706381

IUPAC2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
SMILESCc1cc(C)c(-c2nnnn2C2C(C)(C)C2(C)C)cc1N
InChIInChI=1S/C16H23N5/c1-9-7-10(2)12(17)8-11(9)13-18-19-20-21(13)14-15(3,4)16(14,5)6/h7-8,14H,17H2,1-6H3
InChIKeyDOWBVFZMRIEETN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.15
Rot. Bonds2

About 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline

2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline (PubChem CID 102706381) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
PubChem CID102706381
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
SMILESCc1cc(C)c(-c2nnnn2C2C(C)(C)C2(C)C)cc1N
InChIInChI=1S/C16H23N5/c1-9-7-10(2)12(17)8-11(9)13-18-19-20-21(13)14-15(3,4)16(14,5)6/h7-8,14H,17H2,1-6H3
InChIKeyDOWBVFZMRIEETN-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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

4-fluoro-3-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline
CID 79362712
1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-amine
CID 79506517
2,4-dimethyl-5-(1-pentan-3-yltetrazol-5-yl)aniline
CID 102706313
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
CID 102706325
5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706366
5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706416
5-[1-(4-bromophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706323
3-methyl-4-[1-[(2,2,3,3-tetramethylcyclopropyl)methyl]tetrazol-5-yl]aniline
CID 79361312
5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706309
5-[1-(1,4-dioxan-2-ylmethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706333
2-(1-cyclobutyltetrazol-5-yl)-4-methylaniline
CID 65454710
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline?
The IUPAC name of 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline (CID 102706381) is 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline is Cc1cc(C)c(-c2nnnn2C2C(C)(C)C2(C)C)cc1N.
What is the InChIKey of 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline?
The InChIKey is DOWBVFZMRIEETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-9-7-10(2)12(17)8-11(9)13-18-19-20-21(13)14-15(3,4)16(14,5)6/h7-8,14H,17H2,1-6H3.
What are the key properties of 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline?
2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline has a molecular weight of 285.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 102706381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).