2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol

C12H26N2O2 — CID 62260430

IUPAC2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)CC1(CNC)CCOC1
InChIInChI=1S/C12H26N2O2/c1-3-5-14(6-7-15)10-12(9-13-2)4-8-16-11-12/h13,15H,3-11H2,1-2H3
InChIKeyKFQCUYUMLRKZMY-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.32
Rot. Bonds8

About 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol

2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol (PubChem CID 62260430) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
PubChem CID62260430
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
SMILESCCCN(CCO)CC1(CNC)CCOC1
InChIInChI=1S/C12H26N2O2/c1-3-5-14(6-7-15)10-12(9-13-2)4-8-16-11-12/h13,15H,3-11H2,1-2H3
InChIKeyKFQCUYUMLRKZMY-UHFFFAOYSA-N
XLogP0.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486899
N-ethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
CID 62392172
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
CID 107871141
N-[[3-[(dipropylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62263014
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
2-[2,2-difluoroethyl-[[3-(methylaminomethyl)oxan-3-yl]methyl]amino]ethanol
CID 107486619
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262394
2-[2-hydroxyethyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62255853
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 63954673
2-[butyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]ethanol
CID 62392546

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol (CID 62260430) is 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol is CCCN(CCO)CC1(CNC)CCOC1.
What is the InChIKey of 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol?
The InChIKey is KFQCUYUMLRKZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-14(6-7-15)10-12(9-13-2)4-8-16-11-12/h13,15H,3-11H2,1-2H3.
What are the key properties of 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol?
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol has a molecular weight of 230.35 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol is sourced from PubChem (CID 62260430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).