2-[3-(ethylamino)butylamino]ethanol

C8H20N2O — CID 57201952

IUPAC2-[3-(ethylamino)butylamino]ethanol
SMILESCCNC(C)CCNCCO
InChIInChI=1S/C8H20N2O/c1-3-10-8(2)4-5-9-6-7-11/h8-11H,3-7H2,1-2H3
InChIKeyOZHQJAQONZFJPS-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.04
Rot. Bonds7

About 2-[3-(ethylamino)butylamino]ethanol

2-[3-(ethylamino)butylamino]ethanol (PubChem CID 57201952) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-[3-(ethylamino)butylamino]ethanol.

Molecular Properties

Compound Name2-[3-(ethylamino)butylamino]ethanol
PubChem CID57201952
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-[3-(ethylamino)butylamino]ethanol
SMILESCCNC(C)CCNCCO
InChIInChI=1S/C8H20N2O/c1-3-10-8(2)4-5-9-6-7-11/h8-11H,3-7H2,1-2H3
InChIKeyOZHQJAQONZFJPS-UHFFFAOYSA-N
XLogP-0.04
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[3-(ethylamino)butylamino]ethanol?
The IUPAC name of 2-[3-(ethylamino)butylamino]ethanol (CID 57201952) is 2-[3-(ethylamino)butylamino]ethanol.
What is the SMILES notation for 2-[3-(ethylamino)butylamino]ethanol?
The canonical SMILES for 2-[3-(ethylamino)butylamino]ethanol is CCNC(C)CCNCCO.
What is the InChIKey of 2-[3-(ethylamino)butylamino]ethanol?
The InChIKey is OZHQJAQONZFJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-3-10-8(2)4-5-9-6-7-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-[3-(ethylamino)butylamino]ethanol?
2-[3-(ethylamino)butylamino]ethanol has a molecular weight of 160.26 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)butylamino]ethanol is sourced from PubChem (CID 57201952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).