1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol

C9H22N2O2 — CID 106147817

IUPAC1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
SMILESC[C@@H](O)CNCC(C)(O)CN(C)C
InChIInChI=1S/C9H22N2O2/c1-8(12)5-10-6-9(2,13)7-11(3)4/h8,10,12-13H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyKIVDVNZPVSOGHA-VEDVMXKPSA-N
MW190.29 g/mol
LogP-0.73
Rot. Bonds6

About 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol (PubChem CID 106147817) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
PubChem CID106147817
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
SMILESC[C@@H](O)CNCC(C)(O)CN(C)C
InChIInChI=1S/C9H22N2O2/c1-8(12)5-10-6-9(2,13)7-11(3)4/h8,10,12-13H,5-7H2,1-4H3/t8-,9?/m1/s1
InChIKeyKIVDVNZPVSOGHA-VEDVMXKPSA-N
XLogP-0.73
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
CID 114150038
1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
CID 106932260
1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
1-(2,2-dimethylpropylamino)propan-2-ol
CID 21304828
2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile
CID 106147696
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231
1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145662
4-(dimethylamino)-3,3-dimethylbutan-2-ol;ethane
CID 166075634
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106147644
1-(dimethylamino)-2-methyl-3-(2-methylsulfonylethylamino)propan-2-ol
CID 106147426
N-carbamoyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
CID 106147492
(2R)-1-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 106932513

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol (CID 106147817) is 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol is C[C@@H](O)CNCC(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol?
The InChIKey is KIVDVNZPVSOGHA-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-8(12)5-10-6-9(2,13)7-11(3)4/h8,10,12-13H,5-7H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol has a molecular weight of 190.29 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 106147817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).