2-[(2-methylpropan-2-yl)oxy]butan-2-amine

C8H19NO — CID 154024106

IUPAC2-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCCC(C)(N)OC(C)(C)C
InChIInChI=1S/C8H19NO/c1-6-8(5,9)10-7(2,3)4/h6,9H2,1-5H3
InChIKeyZGPRLAXQWFYICB-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.89
Rot. Bonds2

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

2-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 154024106) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID154024106
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCCC(C)(N)OC(C)(C)C
InChIInChI=1S/C8H19NO/c1-6-8(5,9)10-7(2,3)4/h6,9H2,1-5H3
InChIKeyZGPRLAXQWFYICB-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 154024106) is 2-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]butan-2-amine is CCC(C)(N)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is ZGPRLAXQWFYICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-6-8(5,9)10-7(2,3)4/h6,9H2,1-5H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]butan-2-amine?
2-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 145.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 154024106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).