2-aminobutan-2-ol;propane

C7H19NO — CID 174346487

IUPAC2-aminobutan-2-ol;propane
SMILESCCC.CCC(C)(N)O
InChIInChI=1S/C4H11NO.C3H8/c1-3-4(2,5)6;1-3-2/h6H,3,5H2,1-2H3;3H2,1-2H3
InChIKeyMXHOVDVAGIQHAL-UHFFFAOYSA-N
MW133.23 g/mol
LogP1.48
Rot. Bonds1

About 2-aminobutan-2-ol;propane

2-aminobutan-2-ol;propane (PubChem CID 174346487) has the molecular formula C7H19NO and a molecular weight of 133.23 g/mol. Its IUPAC name is 2-aminobutan-2-ol;propane.

Molecular Properties

Compound Name2-aminobutan-2-ol;propane
PubChem CID174346487
Molecular FormulaC7H19NO
Molecular Weight133.23 g/mol
Exact Mass133.15
IUPAC Name2-aminobutan-2-ol;propane
SMILESCCC.CCC(C)(N)O
InChIInChI=1S/C4H11NO.C3H8/c1-3-4(2,5)6;1-3-2/h6H,3,5H2,1-2H3;3H2,1-2H3
InChIKeyMXHOVDVAGIQHAL-UHFFFAOYSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
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-aminobutan-2-ol;propane?
The IUPAC name of 2-aminobutan-2-ol;propane (CID 174346487) is 2-aminobutan-2-ol;propane.
What is the SMILES notation for 2-aminobutan-2-ol;propane?
The canonical SMILES for 2-aminobutan-2-ol;propane is CCC.CCC(C)(N)O.
What is the InChIKey of 2-aminobutan-2-ol;propane?
The InChIKey is MXHOVDVAGIQHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H8/c1-3-4(2,5)6;1-3-2/h6H,3,5H2,1-2H3;3H2,1-2H3.
What are the key properties of 2-aminobutan-2-ol;propane?
2-aminobutan-2-ol;propane has a molecular weight of 133.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutan-2-ol;propane is sourced from PubChem (CID 174346487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).