2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol

C14H27NO3 — CID 63745392

IUPAC2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol
SMILESOCCN(CC1(CO)CCCOC1)C1CCCC1
InChIInChI=1S/C14H27NO3/c16-8-7-15(13-4-1-2-5-13)10-14(11-17)6-3-9-18-12-14/h13,16-17H,1-12H2
InChIKeyCHBGHWYSTBIWEB-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.01
Rot. Bonds6

About 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol

2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol (PubChem CID 63745392) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol
PubChem CID63745392
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol
SMILESOCCN(CC1(CO)CCCOC1)C1CCCC1
InChIInChI=1S/C14H27NO3/c16-8-7-15(13-4-1-2-5-13)10-14(11-17)6-3-9-18-12-14/h13,16-17H,1-12H2
InChIKeyCHBGHWYSTBIWEB-UHFFFAOYSA-N
XLogP1.01
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol (CID 63745392) is 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol is OCCN(CC1(CO)CCCOC1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol?
The InChIKey is CHBGHWYSTBIWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c16-8-7-15(13-4-1-2-5-13)10-14(11-17)6-3-9-18-12-14/h13,16-17H,1-12H2.
What are the key properties of 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol?
2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol has a molecular weight of 257.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 63745392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).