3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine

C14H19N5 — CID 122139524

IUPAC3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3nnn(C)n3)C2)cc1
InChIInChI=1S/C14H19N5/c1-10-3-5-11(6-4-10)12-7-13(8-12)15-9-14-16-18-19(2)17-14/h3-6,12-13,15H,7-9H2,1-2H3
InChIKeyLYPQETSRDRWKLA-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.55
Rot. Bonds4

About 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine

3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 122139524) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID122139524
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3nnn(C)n3)C2)cc1
InChIInChI=1S/C14H19N5/c1-10-3-5-11(6-4-10)12-7-13(8-12)15-9-14-16-18-19(2)17-14/h3-6,12-13,15H,7-9H2,1-2H3
InChIKeyLYPQETSRDRWKLA-UHFFFAOYSA-N
XLogP1.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine (CID 122139524) is 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine is Cc1ccc(C2CC(NCc3nnn(C)n3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is LYPQETSRDRWKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-3-5-11(6-4-10)12-7-13(8-12)15-9-14-16-18-19(2)17-14/h3-6,12-13,15H,7-9H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine?
3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 122139524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).