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

C14H18ClN5 — CID 115936290

IUPAC2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline
SMILESCC1(C)CCCC1n1nnnc1-c1cccc(N)c1Cl
InChIInChI=1S/C14H18ClN5/c1-14(2)8-4-7-11(14)20-13(17-18-19-20)9-5-3-6-10(16)12(9)15/h3,5-6,11H,4,7-8,16H2,1-2H3
InChIKeyVGZBSHNPLMUSNG-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.33
Rot. Bonds2

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

2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline (PubChem CID 115936290) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline
PubChem CID115936290
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline
SMILESCC1(C)CCCC1n1nnnc1-c1cccc(N)c1Cl
InChIInChI=1S/C14H18ClN5/c1-14(2)8-4-7-11(14)20-13(17-18-19-20)9-5-3-6-10(16)12(9)15/h3,5-6,11H,4,7-8,16H2,1-2H3
InChIKeyVGZBSHNPLMUSNG-UHFFFAOYSA-N
XLogP3.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.33
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-chloro-3-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 79871241
3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]-4-methoxyaniline
CID 79870045
4-[1-(2,2-dimethylcyclohexyl)tetrazol-5-yl]-2-fluoroaniline
CID 79871398
3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline
CID 61354468
2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 115936198
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 112580511
2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
CID 115936191
2-[1-(2,3-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 61351822
2-(2,2-dimethylcyclopentyl)pyrazol-3-amine
CID 79856767
2-methyl-3-[1-(oxan-3-yl)tetrazol-5-yl]aniline
CID 63361626
3-chloro-4-(2,2-dimethylcyclopentyl)-5-phenyl-1,2,4-triazole
CID 79878389

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline (CID 115936290) is 2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline is CC1(C)CCCC1n1nnnc1-c1cccc(N)c1Cl.
What is the InChIKey of 2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline?
The InChIKey is VGZBSHNPLMUSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-14(2)8-4-7-11(14)20-13(17-18-19-20)9-5-3-6-10(16)12(9)15/h3,5-6,11H,4,7-8,16H2,1-2H3.
What are the key properties of 2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline?
2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline has a molecular weight of 291.79 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-(2,2-dimethylcyclopentyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 115936290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).