4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine

C13H21N5O2 — CID 62567183

IUPAC4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine
SMILESCCOCCCCNCCn1nnc(-c2ccco2)n1
InChIInChI=1S/C13H21N5O2/c1-2-19-10-4-3-7-14-8-9-18-16-13(15-17-18)12-6-5-11-20-12/h5-6,11,14H,2-4,7-10H2,1H3
InChIKeyQOHBMUPJLUYGFD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.34
Rot. Bonds10

About 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine

4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine (PubChem CID 62567183) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine
PubChem CID62567183
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine
SMILESCCOCCCCNCCn1nnc(-c2ccco2)n1
InChIInChI=1S/C13H21N5O2/c1-2-19-10-4-3-7-14-8-9-18-16-13(15-17-18)12-6-5-11-20-12/h5-6,11,14H,2-4,7-10H2,1H3
InChIKeyQOHBMUPJLUYGFD-UHFFFAOYSA-N
XLogP1.34
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine (CID 62567183) is 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine is CCOCCCCNCCn1nnc(-c2ccco2)n1.
What is the InChIKey of 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine?
The InChIKey is QOHBMUPJLUYGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-19-10-4-3-7-14-8-9-18-16-13(15-17-18)12-6-5-11-20-12/h5-6,11,14H,2-4,7-10H2,1H3.
What are the key properties of 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine?
4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine has a molecular weight of 279.34 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]butan-1-amine is sourced from PubChem (CID 62567183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).