3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol

C9H22N2O2 — CID 76916895

IUPAC3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol
SMILESCN(C)C(C)(C)CNCC(O)CO
InChIInChI=1S/C9H22N2O2/c1-9(2,11(3)4)7-10-5-8(13)6-12/h8,10,12-13H,5-7H2,1-4H3
InChIKeyBVJSZQKEAZAKIQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.73
Rot. Bonds6

About 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol

3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol (PubChem CID 76916895) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol
PubChem CID76916895
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol
SMILESCN(C)C(C)(C)CNCC(O)CO
InChIInChI=1S/C9H22N2O2/c1-9(2,11(3)4)7-10-5-8(13)6-12/h8,10,12-13H,5-7H2,1-4H3
InChIKeyBVJSZQKEAZAKIQ-UHFFFAOYSA-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

(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
CID 61142642
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993
5-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147183
2-(2,3-dihydroxypropylamino)-N,N-dimethylacetamide
CID 60901605
3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
CID 115122512
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 62641406
(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122528
3-[2-[2,3-dihydroxypropyl-[2-(2,3-dihydroxypropylamino)ethyl]amino]ethylamino]propane-1,2-diol
CID 89396769
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122499

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol (CID 76916895) is 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol is CN(C)C(C)(C)CNCC(O)CO.
What is the InChIKey of 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol?
The InChIKey is BVJSZQKEAZAKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-9(2,11(3)4)7-10-5-8(13)6-12/h8,10,12-13H,5-7H2,1-4H3.
What are the key properties of 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol?
3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol 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 3-[[2-(dimethylamino)-2-methylpropyl]amino]propane-1,2-diol is sourced from PubChem (CID 76916895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).