2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol

C15H32N2O2 — CID 62392546

IUPAC2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)CC1(CNCC)CCOCC1
InChIInChI=1S/C15H32N2O2/c1-3-5-8-17(9-10-18)14-15(13-16-4-2)6-11-19-12-7-15/h16,18H,3-14H2,1-2H3
InChIKeyXJALGIGTWHZUAF-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.49
Rot. Bonds10

About 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol

2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol (PubChem CID 62392546) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol
PubChem CID62392546
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)CC1(CNCC)CCOCC1
InChIInChI=1S/C15H32N2O2/c1-3-5-8-17(9-10-18)14-15(13-16-4-2)6-11-19-12-7-15/h16,18H,3-14H2,1-2H3
InChIKeyXJALGIGTWHZUAF-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol (CID 62392546) is 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol is CCCCN(CCO)CC1(CNCC)CCOCC1.
What is the InChIKey of 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol?
The InChIKey is XJALGIGTWHZUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-3-5-8-17(9-10-18)14-15(13-16-4-2)6-11-19-12-7-15/h16,18H,3-14H2,1-2H3.
What are the key properties of 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol?
2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol has a molecular weight of 272.43 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 62392546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).