2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol

C11H23NO3 — CID 62272592

IUPAC2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol
SMILESOCCN(CCO)CC1(CO)CCCC1
InChIInChI=1S/C11H23NO3/c13-7-5-12(6-8-14)9-11(10-15)3-1-2-4-11/h13-15H,1-10H2
InChIKeyNJUBMFPQEGOLAT-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.17
Rot. Bonds7

About 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol

2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol (PubChem CID 62272592) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol
PubChem CID62272592
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol
SMILESOCCN(CCO)CC1(CO)CCCC1
InChIInChI=1S/C11H23NO3/c13-7-5-12(6-8-14)9-11(10-15)3-1-2-4-11/h13-15H,1-10H2
InChIKeyNJUBMFPQEGOLAT-UHFFFAOYSA-N
XLogP-0.17
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol (CID 62272592) is 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol is OCCN(CCO)CC1(CO)CCCC1.
What is the InChIKey of 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol?
The InChIKey is NJUBMFPQEGOLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c13-7-5-12(6-8-14)9-11(10-15)3-1-2-4-11/h13-15H,1-10H2.
What are the key properties of 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol?
2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol has a molecular weight of 217.31 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[[1-(hydroxymethyl)cyclopentyl]methyl]amino]ethanol is sourced from PubChem (CID 62272592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).