2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol

C14H28N2O2 — CID 102870051

IUPAC2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol
SMILESCC(C)N1CCOC(CN(CCO)C2CCC2)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)15-7-9-18-14(10-15)11-16(6-8-17)13-4-3-5-13/h12-14,17H,3-11H2,1-2H3
InChIKeyILCCHQGMZXDASJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.94
Rot. Bonds6

About 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol

2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol (PubChem CID 102870051) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol
PubChem CID102870051
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol
SMILESCC(C)N1CCOC(CN(CCO)C2CCC2)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)15-7-9-18-14(10-15)11-16(6-8-17)13-4-3-5-13/h12-14,17H,3-11H2,1-2H3
InChIKeyILCCHQGMZXDASJ-UHFFFAOYSA-N
XLogP0.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol (CID 102870051) is 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol is CC(C)N1CCOC(CN(CCO)C2CCC2)C1.
What is the InChIKey of 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol?
The InChIKey is ILCCHQGMZXDASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)15-7-9-18-14(10-15)11-16(6-8-17)13-4-3-5-13/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol?
2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol has a molecular weight of 256.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 102870051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).