1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole

C20H29N5 — CID 30313940

IUPAC1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole
SMILESCc1cccc(C)c1-n1nnnc1C1(N2CCCC2)CCC(C)CC1
InChIInChI=1S/C20H29N5/c1-15-9-11-20(12-10-15,24-13-4-5-14-24)19-21-22-23-25(19)18-16(2)7-6-8-17(18)3/h6-8,15H,4-5,9-14H2,1-3H3
InChIKeyVFISWWMPJYZDHH-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.78
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole

1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole (PubChem CID 30313940) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole
PubChem CID30313940
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole
SMILESCc1cccc(C)c1-n1nnnc1C1(N2CCCC2)CCC(C)CC1
InChIInChI=1S/C20H29N5/c1-15-9-11-20(12-10-15,24-13-4-5-14-24)19-21-22-23-25(19)18-16(2)7-6-8-17(18)3/h6-8,15H,4-5,9-14H2,1-3H3
InChIKeyVFISWWMPJYZDHH-UHFFFAOYSA-N
XLogP3.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine
CID 43902752
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
CID 30314444
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-3-methylaniline
CID 30314832
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2,2,2-trifluoroacetamide
CID 56694248
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
CID 5024736
ethyl N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313837
1-phenyl-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
CID 50812587
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methoxy-N-methylacetamide
CID 30313505
4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine
CID 50812567
ethyl 3-[5-(4-methyl-1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzoate
CID 30314325
1-(5-chloro-2-methylphenyl)-5-(1-pyrrolidin-1-ylcyclopentyl)tetrazole
CID 30617981
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
CID 3912904

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole?
The IUPAC name of 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole (CID 30313940) is 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole?
The canonical SMILES for 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole is Cc1cccc(C)c1-n1nnnc1C1(N2CCCC2)CCC(C)CC1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole?
The InChIKey is VFISWWMPJYZDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-15-9-11-20(12-10-15,24-13-4-5-14-24)19-21-22-23-25(19)18-16(2)7-6-8-17(18)3/h6-8,15H,4-5,9-14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole?
1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole has a molecular weight of 339.49 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-5-(4-methyl-1-pyrrolidin-1-ylcyclohexyl)tetrazole is sourced from PubChem (CID 30313940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).