2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol

C9H21NO2 — CID 62536849

IUPAC2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol
SMILESCCC(C)NC(C)(CO)COC
InChIInChI=1S/C9H21NO2/c1-5-8(2)10-9(3,6-11)7-12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyZOMNHVBOGDWVTD-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds6

About 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol

2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol (PubChem CID 62536849) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol
PubChem CID62536849
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol
SMILESCCC(C)NC(C)(CO)COC
InChIInChI=1S/C9H21NO2/c1-5-8(2)10-9(3,6-11)7-12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyZOMNHVBOGDWVTD-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol (CID 62536849) is 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol is CCC(C)NC(C)(CO)COC.
What is the InChIKey of 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol?
The InChIKey is ZOMNHVBOGDWVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-8(2)10-9(3,6-11)7-12-4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol?
2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 62536849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).