1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol

C14H32N2O4 — CID 59847764

IUPAC1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol
SMILESCC(N)COCC(C)OCCOCC(C)NCC(C)O
InChIInChI=1S/C14H32N2O4/c1-11(15)8-19-10-14(4)20-6-5-18-9-12(2)16-7-13(3)17/h11-14,16-17H,5-10,15H2,1-4H3
InChIKeyRIKRIZUDINBIPE-UHFFFAOYSA-N
MW292.42 g/mol
LogP0.13
Rot. Bonds13

About 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol

1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol (PubChem CID 59847764) has the molecular formula C14H32N2O4 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol
PubChem CID59847764
Molecular FormulaC14H32N2O4
Molecular Weight292.42 g/mol
Exact Mass292.24
IUPAC Name1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol
SMILESCC(N)COCC(C)OCCOCC(C)NCC(C)O
InChIInChI=1S/C14H32N2O4/c1-11(15)8-19-10-14(4)20-6-5-18-9-12(2)16-7-13(3)17/h11-14,16-17H,5-10,15H2,1-4H3
InChIKeyRIKRIZUDINBIPE-UHFFFAOYSA-N
XLogP0.13
TPSA85.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol (CID 59847764) is 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol is CC(N)COCC(C)OCCOCC(C)NCC(C)O.
What is the InChIKey of 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol?
The InChIKey is RIKRIZUDINBIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O4/c1-11(15)8-19-10-14(4)20-6-5-18-9-12(2)16-7-13(3)17/h11-14,16-17H,5-10,15H2,1-4H3.
What are the key properties of 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol?
1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 0.13, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[1-(2-aminopropoxy)propan-2-yloxy]ethoxy]propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 59847764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).