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

C9H22N2O3 — CID 90250561

IUPAC1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol
SMILESCOC(C)C(O)NCC(O)CN(C)C
InChIInChI=1S/C9H22N2O3/c1-7(14-4)9(13)10-5-8(12)6-11(2)3/h7-10,12-13H,5-6H2,1-4H3
InChIKeyGEKKUPDQMYGLEC-UHFFFAOYSA-N
MW206.29 g/mol
LogP-1.15
Rot. Bonds7

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

1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol (PubChem CID 90250561) has the molecular formula C9H22N2O3 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol.

Molecular Properties

Compound Name1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol
PubChem CID90250561
Molecular FormulaC9H22N2O3
Molecular Weight206.29 g/mol
Exact Mass206.16
IUPAC Name1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol
SMILESCOC(C)C(O)NCC(O)CN(C)C
InChIInChI=1S/C9H22N2O3/c1-7(14-4)9(13)10-5-8(12)6-11(2)3/h7-10,12-13H,5-6H2,1-4H3
InChIKeyGEKKUPDQMYGLEC-UHFFFAOYSA-N
XLogP-1.15
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol
CID 115718065
1-(dimethylamino)-3-(ethoxyamino)propan-2-ol
CID 64974910
1-(dimethylamino)-3-(hexan-3-ylamino)propan-2-ol
CID 62118939
1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841
1-(dicyclopropylmethylamino)-3-(dimethylamino)propan-2-ol
CID 61479607
1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81393172
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
CID 61477002
N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-2-methoxyacetamide
CID 90248628
1-(dimethylamino)-3-[1-(oxolan-3-yl)propylamino]propan-2-ol
CID 115718079
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81360198
1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 54960254
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106349624

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol?
The IUPAC name of 1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol (CID 90250561) is 1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol.
What is the SMILES notation for 1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol?
The canonical SMILES for 1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol is COC(C)C(O)NCC(O)CN(C)C.
What is the InChIKey of 1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol?
The InChIKey is GEKKUPDQMYGLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3/c1-7(14-4)9(13)10-5-8(12)6-11(2)3/h7-10,12-13H,5-6H2,1-4H3.
What are the key properties of 1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol?
1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol has a molecular weight of 206.29 g/mol, XLogP of -1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol is sourced from PubChem (CID 90250561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).