2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol

C14H32N2O4 — CID 13177741

IUPAC2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol
SMILESCCC(CO)NCCOCCOCCNC(CC)CO
InChIInChI=1S/C14H32N2O4/c1-3-13(11-17)15-5-7-19-9-10-20-8-6-16-14(4-2)12-18/h13-18H,3-12H2,1-2H3
InChIKeyCFGYNSRFSFTKIH-UHFFFAOYSA-N
MW292.42 g/mol
LogP-0.26
Rot. Bonds15

About 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol

2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol (PubChem CID 13177741) has the molecular formula C14H32N2O4 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol
PubChem CID13177741
Molecular FormulaC14H32N2O4
Molecular Weight292.42 g/mol
Exact Mass292.24
IUPAC Name2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol
SMILESCCC(CO)NCCOCCOCCNC(CC)CO
InChIInChI=1S/C14H32N2O4/c1-3-13(11-17)15-5-7-19-9-10-20-8-6-16-14(4-2)12-18/h13-18H,3-12H2,1-2H3
InChIKeyCFGYNSRFSFTKIH-UHFFFAOYSA-N
XLogP-0.26
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
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 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol?
The IUPAC name of 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol (CID 13177741) is 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol.
What is the SMILES notation for 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol?
The canonical SMILES for 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol is CCC(CO)NCCOCCOCCNC(CC)CO.
What is the InChIKey of 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol?
The InChIKey is CFGYNSRFSFTKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O4/c1-3-13(11-17)15-5-7-19-9-10-20-8-6-16-14(4-2)12-18/h13-18H,3-12H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol?
2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol has a molecular weight of 292.42 g/mol, XLogP of -0.26, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(1-hydroxybutan-2-ylamino)ethoxy]ethoxy]ethylamino]butan-1-ol is sourced from PubChem (CID 13177741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).