2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine

C13H27NO — CID 62441671

IUPAC2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESC=CCCOC(CNCC(C)C)C(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-15-13(12(4)5)10-14-9-11(2)3/h6,11-14H,1,7-10H2,2-5H3
InChIKeyQFEMUEDZIGEFOG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.85
Rot. Bonds9

About 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine

2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62441671) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID62441671
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESC=CCCOC(CNCC(C)C)C(C)C
InChIInChI=1S/C13H27NO/c1-6-7-8-15-13(12(4)5)10-14-9-11(2)3/h6,11-14H,1,7-10H2,2-5H3
InChIKeyQFEMUEDZIGEFOG-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 62441671) is 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine is C=CCCOC(CNCC(C)C)C(C)C.
What is the InChIKey of 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is QFEMUEDZIGEFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-8-15-13(12(4)5)10-14-9-11(2)3/h6,11-14H,1,7-10H2,2-5H3.
What are the key properties of 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62441671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).