2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine

C14H19N5 — CID 63080778

IUPAC2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C14H19N5/c15-10-11-19-13(16-17-18-19)14(8-4-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2
InChIKeyJLYZBDFEPLHUMU-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.49
Rot. Bonds4

About 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine

2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine (PubChem CID 63080778) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine
PubChem CID63080778
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C14H19N5/c15-10-11-19-13(16-17-18-19)14(8-4-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2
InChIKeyJLYZBDFEPLHUMU-UHFFFAOYSA-N
XLogP1.49
TPSA69.62 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine (CID 63080778) is 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine is NCCn1nnnc1C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine?
The InChIKey is JLYZBDFEPLHUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-10-11-19-13(16-17-18-19)14(8-4-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,15H2.
What are the key properties of 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine?
2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 63080778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).