4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine

C11H23N5O — CID 114182251

IUPAC4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine
SMILESCCOC(c1nnnn1CCCCN)C(C)C
InChIInChI=1S/C11H23N5O/c1-4-17-10(9(2)3)11-13-14-15-16(11)8-6-5-7-12/h9-10H,4-8,12H2,1-3H3
InChIKeyZEKUBAVTMLTFAC-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.15
Rot. Bonds8

About 4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine

4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine (PubChem CID 114182251) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine
PubChem CID114182251
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC Name4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine
SMILESCCOC(c1nnnn1CCCCN)C(C)C
InChIInChI=1S/C11H23N5O/c1-4-17-10(9(2)3)11-13-14-15-16(11)8-6-5-7-12/h9-10H,4-8,12H2,1-3H3
InChIKeyZEKUBAVTMLTFAC-UHFFFAOYSA-N
XLogP1.15
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine (CID 114182251) is 4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine is CCOC(c1nnnn1CCCCN)C(C)C.
What is the InChIKey of 4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is ZEKUBAVTMLTFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-4-17-10(9(2)3)11-13-14-15-16(11)8-6-5-7-12/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine?
4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-ethoxy-2-methylpropyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 114182251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).