1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol

C10H24N2O2 — CID 171700736

IUPAC1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol
SMILES[2H]C([2H])(O)C([2H])(CC)NC([2H])([2H])C([2H])([2H])NC([2H])(CC)C([2H])([2H])O
InChIInChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/i5D2,6D2,7D2,8D2,9D,10D
InChIKeyAEUTYOVWOVBAKS-CPLHHLCZSA-N
MW214.38 g/mol
LogP-0.29
Rot. Bonds9

About 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol

1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol (PubChem CID 171700736) has the molecular formula C10H24N2O2 and a molecular weight of 214.38 g/mol. Its IUPAC name is 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol
PubChem CID171700736
Molecular FormulaC10H24N2O2
Molecular Weight214.38 g/mol
Exact Mass214.25
IUPAC Name1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol
SMILES[2H]C([2H])(O)C([2H])(CC)NC([2H])([2H])C([2H])([2H])NC([2H])(CC)C([2H])([2H])O
InChIInChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/i5D2,6D2,7D2,8D2,9D,10D
InChIKeyAEUTYOVWOVBAKS-CPLHHLCZSA-N
XLogP-0.29
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol with MolForge

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Related Compounds

(2S)-2-amino-1,1,2,3,3,4,4,4-octadeuteriobutan-1-ol
CID 172990148
1,1,2,3,3,3-hexadeuteriopropane-1,2-diol
CID 71309005
(butan-2-ylamino)methanol;ethane
CID 143420847
(2S,3S)-1,1,2,3-tetradeuterio(2,3-13C2)propane-1,2,3-triol
CID 91199623
1-(ethylamino)propane-1,2,3-triol
CID 163812588
(3S)-3-amino-3,4,4-trideuteriopentan-2-one
CID 58415750
(2S)-1,1,1,3,3-pentadeuteriobutan-2-amine
CID 171382411
formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)
CID 160506836
2-amino-2-(propylamino)ethanol
CID 87879676
3-[1-[1-(2,3-dihydroxypropylamino)propyl-methylamino]propylamino]propane-1,2-diol
CID 19347617
(2S)-3-methyl-2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]butanoic acid
CID 131667803
(2S,3R)-3-deuteriobutan-2-ol
CID 25240108

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol?
The IUPAC name of 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol (CID 171700736) is 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol.
What is the SMILES notation for 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol?
The canonical SMILES for 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol is [2H]C([2H])(O)C([2H])(CC)NC([2H])([2H])C([2H])([2H])NC([2H])(CC)C([2H])([2H])O.
What is the InChIKey of 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol?
The InChIKey is AEUTYOVWOVBAKS-CPLHHLCZSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/i5D2,6D2,7D2,8D2,9D,10D.
What are the key properties of 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol?
1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol has a molecular weight of 214.38 g/mol, XLogP of -0.29, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trideuterio-2-[[1,1,2,2-tetradeuterio-2-[(1,1,2-trideuterio-1-hydroxybutan-2-yl)amino]ethyl]amino]butan-1-ol is sourced from PubChem (CID 171700736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).