1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol

C3H9NO — CID 123598986

IUPAC1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol
SMILES[2H]C([2H])([2H])C([2H])(O)C([2H])([2H])N
InChIInChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/i1D3,2D2,3D
InChIKeyHXKKHQJGJAFBHI-LIDOUZCJSA-N
MW81.15 g/mol
LogP-0.67
Rot. Bonds2

About 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol

1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol (PubChem CID 123598986) has the molecular formula C3H9NO and a molecular weight of 81.15 g/mol. Its IUPAC name is 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol.

Molecular Properties

Compound Name1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol
PubChem CID123598986
Molecular FormulaC3H9NO
Molecular Weight81.15 g/mol
Exact Mass81.11
IUPAC Name1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol
SMILES[2H]C([2H])([2H])C([2H])(O)C([2H])([2H])N
InChIInChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/i1D3,2D2,3D
InChIKeyHXKKHQJGJAFBHI-LIDOUZCJSA-N
XLogP-0.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,2,3,3,3-hexadeuteriopropane-1,2-diol
CID 71309005
1,1,1,2,3-pentadeuteriopentan-2-ol
CID 178022826
(2S)-1,1,1,3,3-pentadeuteriobutan-2-amine
CID 171382411
3-amino-2,3,3-trideuterio-2-methylpropanoic acid
CID 131869355
(1-amino-1,1,3,3,3-pentadeuteriopropan-2-yl)carbamic acid
CID 166731715
(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid
CID 171370857
1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride
CID 90472115
(2S)-2-amino-1,1,2,3,3,4,4,4-octadeuteriobutan-1-ol
CID 172990148
5-amino-3,4,4-trimethylpentan-2-ol
CID 130514641
(3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol
CID 140595878
3-(aminomethyl)-3,4,4,5,6,6,6-heptadeuterio-5-(trideuteriomethyl)hexanoic acid
CID 163322441
CID 175729762
CID 175729762

Frequently Asked Questions

What is the IUPAC name of 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol?
The IUPAC name of 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol (CID 123598986) is 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol.
What is the SMILES notation for 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol?
The canonical SMILES for 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol is [2H]C([2H])([2H])C([2H])(O)C([2H])([2H])N.
What is the InChIKey of 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol?
The InChIKey is HXKKHQJGJAFBHI-LIDOUZCJSA-N. The full InChI is InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/i1D3,2D2,3D.
What are the key properties of 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol?
1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol has a molecular weight of 81.15 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol is sourced from PubChem (CID 123598986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).