2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol

C10H21NO3 — CID 163401789

IUPAC2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol
SMILESCC1CCC(N(CCO)CCO)CO1
InChIInChI=1S/C10H21NO3/c1-9-2-3-10(8-14-9)11(4-6-12)5-7-13/h9-10,12-13H,2-8H2,1H3
InChIKeyPLVSQPMLCYZAHB-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.16
Rot. Bonds5

About 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol

2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol (PubChem CID 163401789) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol
PubChem CID163401789
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol
SMILESCC1CCC(N(CCO)CCO)CO1
InChIInChI=1S/C10H21NO3/c1-9-2-3-10(8-14-9)11(4-6-12)5-7-13/h9-10,12-13H,2-8H2,1H3
InChIKeyPLVSQPMLCYZAHB-UHFFFAOYSA-N
XLogP-0.16
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol (CID 163401789) is 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol is CC1CCC(N(CCO)CCO)CO1.
What is the InChIKey of 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol?
The InChIKey is PLVSQPMLCYZAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9-2-3-10(8-14-9)11(4-6-12)5-7-13/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol?
2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol has a molecular weight of 203.28 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(6-methyloxan-3-yl)amino]ethanol is sourced from PubChem (CID 163401789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).