2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol

C15H32N2O2 — CID 63739818

IUPAC2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC1(CNC)CCCOC1
InChIInChI=1S/C15H32N2O2/c1-4-14(5-2)17(8-9-18)12-15(11-16-3)7-6-10-19-13-15/h14,16,18H,4-13H2,1-3H3
InChIKeyLIAQVEQOVANRLE-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.49
Rot. Bonds9

About 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol

2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol (PubChem CID 63739818) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol
PubChem CID63739818
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)CC1(CNC)CCCOC1
InChIInChI=1S/C15H32N2O2/c1-4-14(5-2)17(8-9-18)12-15(11-16-3)7-6-10-19-13-15/h14,16,18H,4-13H2,1-3H3
InChIKeyLIAQVEQOVANRLE-UHFFFAOYSA-N
XLogP1.49
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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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Related Compounds

2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol
CID 107486619
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 63739653
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
CID 62260430
2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol
CID 62392902
2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 81074952
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 63739640
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741708
3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde
CID 62277191
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
2-[4-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226535

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol (CID 63739818) is 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)CC1(CNC)CCCOC1.
What is the InChIKey of 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol?
The InChIKey is LIAQVEQOVANRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-14(5-2)17(8-9-18)12-15(11-16-3)7-6-10-19-13-15/h14,16,18H,4-13H2,1-3H3.
What are the key properties of 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol?
2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol has a molecular weight of 272.43 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 63739818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).