1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine

C21H25N5 — CID 102554439

IUPAC1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine
SMILESCc1cccc(C)c1-n1nnnc1CNC(c1ccccc1)C1CCC1
InChIInChI=1S/C21H25N5/c1-15-8-6-9-16(2)21(15)26-19(23-24-25-26)14-22-20(18-12-7-13-18)17-10-4-3-5-11-17/h3-6,8-11,18,20,22H,7,12-14H2,1-2H3
InChIKeyDXVLMCZBRNKDFU-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.91
Rot. Bonds6

About 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine

1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine (PubChem CID 102554439) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine
PubChem CID102554439
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine
SMILESCc1cccc(C)c1-n1nnnc1CNC(c1ccccc1)C1CCC1
InChIInChI=1S/C21H25N5/c1-15-8-6-9-16(2)21(15)26-19(23-24-25-26)14-22-20(18-12-7-13-18)17-10-4-3-5-11-17/h3-6,8-11,18,20,22H,7,12-14H2,1-2H3
InChIKeyDXVLMCZBRNKDFU-UHFFFAOYSA-N
XLogP3.91
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine (CID 102554439) is 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine is Cc1cccc(C)c1-n1nnnc1CNC(c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
The InChIKey is DXVLMCZBRNKDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15-8-6-9-16(2)21(15)26-19(23-24-25-26)14-22-20(18-12-7-13-18)17-10-4-3-5-11-17/h3-6,8-11,18,20,22H,7,12-14H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine?
1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine has a molecular weight of 347.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 102554439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).