2-butan-2-yloxypropan-2-amine

C7H17NO — CID 59067573

IUPAC2-butan-2-yloxypropan-2-amine
SMILESCCC(C)OC(C)(C)N
InChIInChI=1S/C7H17NO/c1-5-6(2)9-7(3,4)8/h6H,5,8H2,1-4H3
InChIKeyXHDGDWSYONDGFZ-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.50
Rot. Bonds3

About 2-butan-2-yloxypropan-2-amine

2-butan-2-yloxypropan-2-amine (PubChem CID 59067573) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-butan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-butan-2-yloxypropan-2-amine
PubChem CID59067573
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-butan-2-yloxypropan-2-amine
SMILESCCC(C)OC(C)(C)N
InChIInChI=1S/C7H17NO/c1-5-6(2)9-7(3,4)8/h6H,5,8H2,1-4H3
InChIKeyXHDGDWSYONDGFZ-UHFFFAOYSA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.50
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-butan-2-yloxypropan-2-amine?
The IUPAC name of 2-butan-2-yloxypropan-2-amine (CID 59067573) is 2-butan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-butan-2-yloxypropan-2-amine?
The canonical SMILES for 2-butan-2-yloxypropan-2-amine is CCC(C)OC(C)(C)N.
What is the InChIKey of 2-butan-2-yloxypropan-2-amine?
The InChIKey is XHDGDWSYONDGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-6(2)9-7(3,4)8/h6H,5,8H2,1-4H3.
What are the key properties of 2-butan-2-yloxypropan-2-amine?
2-butan-2-yloxypropan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxypropan-2-amine is sourced from PubChem (CID 59067573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).