2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol

C8H22N2O2 — CID 18541506

IUPAC2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol
SMILESCC(C)(N)CO.CC(O)N(C)C
InChIInChI=1S/2C4H11NO/c1-4(6)5(2)3;1-4(2,5)3-6/h4,6H,1-3H3;6H,3,5H2,1-2H3
InChIKeyPXOUTFAXDJPGEA-UHFFFAOYSA-N
MW178.28 g/mol
LogP-0.40
Rot. Bonds2

About 2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol

2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol (PubChem CID 18541506) has the molecular formula C8H22N2O2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol.

Molecular Properties

Compound Name2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol
PubChem CID18541506
Molecular FormulaC8H22N2O2
Molecular Weight178.28 g/mol
Exact Mass178.17
IUPAC Name2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol
SMILESCC(C)(N)CO.CC(O)N(C)C
InChIInChI=1S/2C4H11NO/c1-4(6)5(2)3;1-4(2,5)3-6/h4,6H,1-3H3;6H,3,5H2,1-2H3
InChIKeyPXOUTFAXDJPGEA-UHFFFAOYSA-N
XLogP-0.40
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol?
The IUPAC name of 2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol (CID 18541506) is 2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol.
What is the SMILES notation for 2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol?
The canonical SMILES for 2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol is CC(C)(N)CO.CC(O)N(C)C.
What is the InChIKey of 2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol?
The InChIKey is PXOUTFAXDJPGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11NO/c1-4(6)5(2)3;1-4(2,5)3-6/h4,6H,1-3H3;6H,3,5H2,1-2H3.
What are the key properties of 2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol?
2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol has a molecular weight of 178.28 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropan-1-ol;1-(dimethylamino)ethanol is sourced from PubChem (CID 18541506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).