1,3-bis[1-(dimethylamino)propoxy]propan-2-ol

C13H30N2O3 — CID 18702096

IUPAC1,3-bis[1-(dimethylamino)propoxy]propan-2-ol
SMILESCCC(OCC(O)COC(CC)N(C)C)N(C)C
InChIInChI=1S/C13H30N2O3/c1-7-12(14(3)4)17-9-11(16)10-18-13(8-2)15(5)6/h11-13,16H,7-10H2,1-6H3
InChIKeyXZNDOMKKDMMHSF-UHFFFAOYSA-N
MW262.39 g/mol
LogP0.98
Rot. Bonds10

About 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol

1,3-bis[1-(dimethylamino)propoxy]propan-2-ol (PubChem CID 18702096) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[1-(dimethylamino)propoxy]propan-2-ol
PubChem CID18702096
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Name1,3-bis[1-(dimethylamino)propoxy]propan-2-ol
SMILESCCC(OCC(O)COC(CC)N(C)C)N(C)C
InChIInChI=1S/C13H30N2O3/c1-7-12(14(3)4)17-9-11(16)10-18-13(8-2)15(5)6/h11-13,16H,7-10H2,1-6H3
InChIKeyXZNDOMKKDMMHSF-UHFFFAOYSA-N
XLogP0.98
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol?
The IUPAC name of 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol (CID 18702096) is 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol?
The canonical SMILES for 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol is CCC(OCC(O)COC(CC)N(C)C)N(C)C.
What is the InChIKey of 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol?
The InChIKey is XZNDOMKKDMMHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3/c1-7-12(14(3)4)17-9-11(16)10-18-13(8-2)15(5)6/h11-13,16H,7-10H2,1-6H3.
What are the key properties of 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol?
1,3-bis[1-(dimethylamino)propoxy]propan-2-ol has a molecular weight of 262.39 g/mol, XLogP of 0.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[1-(dimethylamino)propoxy]propan-2-ol is sourced from PubChem (CID 18702096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).