3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine

C15H31NO2 — CID 89228231

IUPAC3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine
SMILESC=CCCOC(C)(C)CCOC(C)(CC)CCN
InChIInChI=1S/C15H31NO2/c1-6-8-12-17-14(3,4)10-13-18-15(5,7-2)9-11-16/h6H,1,7-13,16H2,2-5H3
InChIKeyYREYZIIMMGKUMR-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.28
Rot. Bonds11

About 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine

3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine (PubChem CID 89228231) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine.

Molecular Properties

Compound Name3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine
PubChem CID89228231
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine
SMILESC=CCCOC(C)(C)CCOC(C)(CC)CCN
InChIInChI=1S/C15H31NO2/c1-6-8-12-17-14(3,4)10-13-18-15(5,7-2)9-11-16/h6H,1,7-13,16H2,2-5H3
InChIKeyYREYZIIMMGKUMR-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine?
The IUPAC name of 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine (CID 89228231) is 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine.
What is the SMILES notation for 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine?
The canonical SMILES for 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine is C=CCCOC(C)(C)CCOC(C)(CC)CCN.
What is the InChIKey of 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine?
The InChIKey is YREYZIIMMGKUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-8-12-17-14(3,4)10-13-18-15(5,7-2)9-11-16/h6H,1,7-13,16H2,2-5H3.
What are the key properties of 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine?
3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-but-3-enoxy-3-methylbutoxy)-3-methylpentan-1-amine is sourced from PubChem (CID 89228231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).