2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride

C5H16Cl2N2O — CID 119031383

IUPAC2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride
SMILESCN(C)CC(N)CO.Cl.Cl
InChIInChI=1S/C5H14N2O.2ClH/c1-7(2)3-5(6)4-8;;/h5,8H,3-4,6H2,1-2H3;2*1H
InChIKeyQIBPSFAFROBBBN-UHFFFAOYSA-N
MW191.10 g/mol
LogP-0.29
Rot. Bonds3

About 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride

2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride (PubChem CID 119031383) has the molecular formula C5H16Cl2N2O and a molecular weight of 191.10 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride
PubChem CID119031383
Molecular FormulaC5H16Cl2N2O
Molecular Weight191.10 g/mol
Exact Mass190.06
IUPAC Name2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride
SMILESCN(C)CC(N)CO.Cl.Cl
InChIInChI=1S/C5H14N2O.2ClH/c1-7(2)3-5(6)4-8;;/h5,8H,3-4,6H2,1-2H3;2*1H
InChIKeyQIBPSFAFROBBBN-UHFFFAOYSA-N
XLogP-0.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride?
The IUPAC name of 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride (CID 119031383) is 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride.
What is the SMILES notation for 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride?
The canonical SMILES for 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride is CN(C)CC(N)CO.Cl.Cl.
What is the InChIKey of 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride?
The InChIKey is QIBPSFAFROBBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O.2ClH/c1-7(2)3-5(6)4-8;;/h5,8H,3-4,6H2,1-2H3;2*1H.
What are the key properties of 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride?
2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride has a molecular weight of 191.10 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)propan-1-ol;dihydrochloride is sourced from PubChem (CID 119031383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).