1-[bis(trideuteriomethyl)amino]propan-2-ol

C5H13NO — CID 121487893

IUPAC1-[bis(trideuteriomethyl)amino]propan-2-ol
SMILES[2H]C([2H])([2H])N(CC(C)O)C([2H])([2H])[2H]
InChIInChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3/i2D3,3D3
InChIKeyNCXUNZWLEYGQAH-XERRXZQWSA-N
MW109.20 g/mol
LogP-0.07
Rot. Bonds4

About 1-[bis(trideuteriomethyl)amino]propan-2-ol

1-[bis(trideuteriomethyl)amino]propan-2-ol (PubChem CID 121487893) has the molecular formula C5H13NO and a molecular weight of 109.20 g/mol. Its IUPAC name is 1-[bis(trideuteriomethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[bis(trideuteriomethyl)amino]propan-2-ol
PubChem CID121487893
Molecular FormulaC5H13NO
Molecular Weight109.20 g/mol
Exact Mass109.14
IUPAC Name1-[bis(trideuteriomethyl)amino]propan-2-ol
SMILES[2H]C([2H])([2H])N(CC(C)O)C([2H])([2H])[2H]
InChIInChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3/i2D3,3D3
InChIKeyNCXUNZWLEYGQAH-XERRXZQWSA-N
XLogP-0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
1-(dimethylamino)octane-2,7-diol
CID 123214691
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
1-[ethoxy(methyl)amino]propan-2-ol
CID 87381608
1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol
CID 163906636
(2S)-1-[2-[(2R)-2-hydroxypropyl]-2-[(2S)-2-hydroxypropyl]hydrazinyl]propan-2-ol
CID 92557049
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
(2R)-1-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 106932409
1,7-bis(dimethylamino)heptane-2,6-diol
CID 122517238

Frequently Asked Questions

What is the IUPAC name of 1-[bis(trideuteriomethyl)amino]propan-2-ol?
The IUPAC name of 1-[bis(trideuteriomethyl)amino]propan-2-ol (CID 121487893) is 1-[bis(trideuteriomethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[bis(trideuteriomethyl)amino]propan-2-ol?
The canonical SMILES for 1-[bis(trideuteriomethyl)amino]propan-2-ol is [2H]C([2H])([2H])N(CC(C)O)C([2H])([2H])[2H].
What is the InChIKey of 1-[bis(trideuteriomethyl)amino]propan-2-ol?
The InChIKey is NCXUNZWLEYGQAH-XERRXZQWSA-N. The full InChI is InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3/i2D3,3D3.
What are the key properties of 1-[bis(trideuteriomethyl)amino]propan-2-ol?
1-[bis(trideuteriomethyl)amino]propan-2-ol has a molecular weight of 109.20 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(trideuteriomethyl)amino]propan-2-ol is sourced from PubChem (CID 121487893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).