3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline

C15H21N5O — CID 81095167

IUPAC3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline
SMILESCCOc1cc(N)cc(-c2nnnn2CC2CCCC2)c1
InChIInChI=1S/C15H21N5O/c1-2-21-14-8-12(7-13(16)9-14)15-17-18-19-20(15)10-11-5-3-4-6-11/h7-9,11H,2-6,10,16H2,1H3
InChIKeyYGJLUYCNODLHST-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.51
Rot. Bonds5

About 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline

3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline (PubChem CID 81095167) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline.

Molecular Properties

Compound Name3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline
PubChem CID81095167
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline
SMILESCCOc1cc(N)cc(-c2nnnn2CC2CCCC2)c1
InChIInChI=1S/C15H21N5O/c1-2-21-14-8-12(7-13(16)9-14)15-17-18-19-20(15)10-11-5-3-4-6-11/h7-9,11H,2-6,10,16H2,1H3
InChIKeyYGJLUYCNODLHST-UHFFFAOYSA-N
XLogP2.51
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.51
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 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline?
The IUPAC name of 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline (CID 81095167) is 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline.
What is the SMILES notation for 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline?
The canonical SMILES for 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline is CCOc1cc(N)cc(-c2nnnn2CC2CCCC2)c1.
What is the InChIKey of 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline?
The InChIKey is YGJLUYCNODLHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-21-14-8-12(7-13(16)9-14)15-17-18-19-20(15)10-11-5-3-4-6-11/h7-9,11H,2-6,10,16H2,1H3.
What are the key properties of 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline?
3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline has a molecular weight of 287.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylmethyl)tetrazol-5-yl]-5-ethoxyaniline is sourced from PubChem (CID 81095167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).