2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol

C9H22N2O2 — CID 88540222

IUPAC2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol
SMILESCCC(N)(CO)CNC(C)(C)CO
InChIInChI=1S/C9H22N2O2/c1-4-9(10,7-13)5-11-8(2,3)6-12/h11-13H,4-7,10H2,1-3H3
InChIKeySJCOAADEYQKCEY-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.55
Rot. Bonds6

About 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol

2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol (PubChem CID 88540222) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol
PubChem CID88540222
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol
SMILESCCC(N)(CO)CNC(C)(C)CO
InChIInChI=1S/C9H22N2O2/c1-4-9(10,7-13)5-11-8(2,3)6-12/h11-13H,4-7,10H2,1-3H3
InChIKeySJCOAADEYQKCEY-UHFFFAOYSA-N
XLogP-0.55
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol (CID 88540222) is 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol is CCC(N)(CO)CNC(C)(C)CO.
What is the InChIKey of 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol?
The InChIKey is SJCOAADEYQKCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-4-9(10,7-13)5-11-8(2,3)6-12/h11-13H,4-7,10H2,1-3H3.
What are the key properties of 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol?
2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol has a molecular weight of 190.29 g/mol, XLogP of -0.55, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 88540222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).