2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol

C11H26N2O2 — CID 106045693

IUPAC2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
SMILESCC(C)N(C)CCCNCCOCCO
InChIInChI=1S/C11H26N2O2/c1-11(2)13(3)7-4-5-12-6-9-15-10-8-14/h11-12,14H,4-10H2,1-3H3
InChIKeyYUYOQEVFHVOJRR-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.32
Rot. Bonds10

About 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol

2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol (PubChem CID 106045693) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
PubChem CID106045693
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
SMILESCC(C)N(C)CCCNCCOCCO
InChIInChI=1S/C11H26N2O2/c1-11(2)13(3)7-4-5-12-6-9-15-10-8-14/h11-12,14H,4-10H2,1-3H3
InChIKeyYUYOQEVFHVOJRR-UHFFFAOYSA-N
XLogP0.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropoxy)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045565
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
5-[2-(2-hydroxyethoxy)ethylamino]pentan-2-ol
CID 106130932
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-(3-methylbutylamino)ethoxy]ethanol
CID 28727325
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 172512750
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol (CID 106045693) is 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol is CC(C)N(C)CCCNCCOCCO.
What is the InChIKey of 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol?
The InChIKey is YUYOQEVFHVOJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-11(2)13(3)7-4-5-12-6-9-15-10-8-14/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol?
2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol has a molecular weight of 218.34 g/mol, XLogP of 0.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol is sourced from PubChem (CID 106045693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).