2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline

C14H19N5O — CID 65454333

IUPAC2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline
SMILESCOC1CCCC1n1nnnc1-c1cc(C)ccc1N
InChIInChI=1S/C14H19N5O/c1-9-6-7-11(15)10(8-9)14-16-17-18-19(14)12-4-3-5-13(12)20-2/h6-8,12-13H,3-5,15H2,1-2H3
InChIKeyQUSXQQGSWBKDOD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.97
Rot. Bonds3

About 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline

2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline (PubChem CID 65454333) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline.

Molecular Properties

Compound Name2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline
PubChem CID65454333
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline
SMILESCOC1CCCC1n1nnnc1-c1cc(C)ccc1N
InChIInChI=1S/C14H19N5O/c1-9-6-7-11(15)10(8-9)14-16-17-18-19(14)12-4-3-5-13(12)20-2/h6-8,12-13H,3-5,15H2,1-2H3
InChIKeyQUSXQQGSWBKDOD-UHFFFAOYSA-N
XLogP1.97
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline?
The IUPAC name of 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline (CID 65454333) is 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline.
What is the SMILES notation for 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline?
The canonical SMILES for 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline is COC1CCCC1n1nnnc1-c1cc(C)ccc1N.
What is the InChIKey of 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline?
The InChIKey is QUSXQQGSWBKDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-6-7-11(15)10(8-9)14-16-17-18-19(14)12-4-3-5-13(12)20-2/h6-8,12-13H,3-5,15H2,1-2H3.
What are the key properties of 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline?
2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline has a molecular weight of 273.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline is sourced from PubChem (CID 65454333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).