1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol

C9H22N2O2 — CID 20820329

IUPAC1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CN(C)CC(C)O
InChIInChI=1S/C9H22N2O2/c1-8(12)5-10(3)7-11(4)6-9(2)13/h8-9,12-13H,5-7H2,1-4H3
InChIKeyOEIPFKOMQDHGJF-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.43
Rot. Bonds6

About 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol

1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol (PubChem CID 20820329) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
PubChem CID20820329
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CN(C)CC(C)O
InChIInChI=1S/C9H22N2O2/c1-8(12)5-10(3)7-11(4)6-9(2)13/h8-9,12-13H,5-7H2,1-4H3
InChIKeyOEIPFKOMQDHGJF-UHFFFAOYSA-N
XLogP-0.43
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748
1-[methyl-[2-(propan-2-ylamino)ethyl]amino]propan-2-ol
CID 62338146
1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol
CID 62333760
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol (CID 20820329) is 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol is CC(O)CN(C)CN(C)CC(C)O.
What is the InChIKey of 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol?
The InChIKey is OEIPFKOMQDHGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-8(12)5-10(3)7-11(4)6-9(2)13/h8-9,12-13H,5-7H2,1-4H3.
What are the key properties of 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol?
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol has a molecular weight of 190.29 g/mol, XLogP of -0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 20820329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).