2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol

C13H27NO2 — CID 103137601

IUPAC2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC1CCC(C)O1
InChIInChI=1S/C13H27NO2/c1-4-12(5-2)14(8-9-15)10-13-7-6-11(3)16-13/h11-13,15H,4-10H2,1-3H3
InChIKeyFSGZWCNVSJUCAX-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.04
Rot. Bonds7

About 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol

2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol (PubChem CID 103137601) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol
PubChem CID103137601
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC1CCC(C)O1
InChIInChI=1S/C13H27NO2/c1-4-12(5-2)14(8-9-15)10-13-7-6-11(3)16-13/h11-13,15H,4-10H2,1-3H3
InChIKeyFSGZWCNVSJUCAX-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol (CID 103137601) is 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)CC1CCC(C)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is FSGZWCNVSJUCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-12(5-2)14(8-9-15)10-13-7-6-11(3)16-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol?
2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 229.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 103137601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).