2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

C10H23NO2 — CID 63071073

IUPAC2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCCOC(CN)CCOC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-5-12-9(8-11)6-7-13-10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyNOFZCNZDHZKPJX-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.56
Rot. Bonds6

About 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine

2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (PubChem CID 63071073) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
PubChem CID63071073
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
SMILESCCOC(CN)CCOC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-5-12-9(8-11)6-7-13-10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyNOFZCNZDHZKPJX-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The IUPAC name of 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine (CID 63071073) is 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The canonical SMILES for 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is CCOC(CN)CCOC(C)(C)C.
What is the InChIKey of 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
The InChIKey is NOFZCNZDHZKPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-5-12-9(8-11)6-7-13-10(2,3)4/h9H,5-8,11H2,1-4H3.
What are the key properties of 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine?
2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(2-methylpropan-2-yl)oxy]butan-1-amine is sourced from PubChem (CID 63071073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).