3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol

C8H20N2O2 — CID 54495668

IUPAC3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol
SMILESCCC(CO)NC(C)(CN)CO
InChIInChI=1S/C8H20N2O2/c1-3-7(4-11)10-8(2,5-9)6-12/h7,10-12H,3-6,9H2,1-2H3
InChIKeyXYXBGBKBHHYWPG-UHFFFAOYSA-N
MW176.26 g/mol
LogP-0.94
Rot. Bonds6

About 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol

3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol (PubChem CID 54495668) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol
PubChem CID54495668
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol
SMILESCCC(CO)NC(C)(CN)CO
InChIInChI=1S/C8H20N2O2/c1-3-7(4-11)10-8(2,5-9)6-12/h7,10-12H,3-6,9H2,1-2H3
InChIKeyXYXBGBKBHHYWPG-UHFFFAOYSA-N
XLogP-0.94
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol (CID 54495668) is 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol is CCC(CO)NC(C)(CN)CO.
What is the InChIKey of 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol?
The InChIKey is XYXBGBKBHHYWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-3-7(4-11)10-8(2,5-9)6-12/h7,10-12H,3-6,9H2,1-2H3.
What are the key properties of 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol?
3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol has a molecular weight of 176.26 g/mol, XLogP of -0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-hydroxybutan-2-ylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 54495668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).