3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline

C14H19N5 — CID 64921084

IUPAC3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline
SMILESCC1CCC(n2nnnc2-c2cccc(N)c2)C1C
InChIInChI=1S/C14H19N5/c1-9-6-7-13(10(9)2)19-14(16-17-18-19)11-4-3-5-12(15)8-11/h3-5,8-10,13H,6-7,15H2,1-2H3
InChIKeyILRDWTBZTUASPD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.53
Rot. Bonds2

About 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline

3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline (PubChem CID 64921084) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline
PubChem CID64921084
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline
SMILESCC1CCC(n2nnnc2-c2cccc(N)c2)C1C
InChIInChI=1S/C14H19N5/c1-9-6-7-13(10(9)2)19-14(16-17-18-19)11-4-3-5-12(15)8-11/h3-5,8-10,13H,6-7,15H2,1-2H3
InChIKeyILRDWTBZTUASPD-UHFFFAOYSA-N
XLogP2.53
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.53
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-(m-Aminophenyl)-1-isobutyl-1H-tetrazole hydrochloride
CID 3031869
4-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 22259018
3-[1-(2-Methylpropyl)tetrazol-5-yl]aniline
CID 3031870
2-(1-Cyclopropyl-1H-tetrazol-5-yl)benzenamine
CID 28818926
3-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 14457675
[3-(1-Ethyltetrazol-5-yl)phenyl]urea
CID 72117541
3-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 16227503
4-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 17511960
3-(4-ethyl-4H-1,2,4-triazol-3-yl)aniline
CID 28819458
N-cyclohexyl-2-(1-propan-2-yltetrazol-5-yl)aniline
CID 75455238
(2S)-2-methyl-N-[2-(1-propan-2-yltetrazol-5-yl)phenyl]pyrrolidine-1-sulfonamide
CID 164630774
3,4-Difluoro-5-(1-methyltetrazol-5-yl)aniline
CID 59442741

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline (CID 64921084) is 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline is CC1CCC(n2nnnc2-c2cccc(N)c2)C1C.
What is the InChIKey of 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline?
The InChIKey is ILRDWTBZTUASPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9-6-7-13(10(9)2)19-14(16-17-18-19)11-4-3-5-12(15)8-11/h3-5,8-10,13H,6-7,15H2,1-2H3.
What are the key properties of 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline?
3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline has a molecular weight of 257.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dimethylcyclopentyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 64921084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).