3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol

C11H25NO3 — CID 114495808

IUPAC3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(CCO)CCOC
InChIInChI=1S/C11H25NO3/c1-4-11(14,5-2)10-12(6-8-13)7-9-15-3/h13-14H,4-10H2,1-3H3
InChIKeyNFARZCWCKFRMFS-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.48
Rot. Bonds9

About 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol

3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol (PubChem CID 114495808) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol
PubChem CID114495808
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(CCO)CCOC
InChIInChI=1S/C11H25NO3/c1-4-11(14,5-2)10-12(6-8-13)7-9-15-3/h13-14H,4-10H2,1-3H3
InChIKeyNFARZCWCKFRMFS-UHFFFAOYSA-N
XLogP0.48
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]pentan-3-ol
CID 115919423
1-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol
CID 114495810
2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
2-[2-methoxyethyl(2-methylidenebutyl)amino]ethanol
CID 115897951
2-[2-cyclopropylethyl(2-methoxyethyl)amino]ethanol
CID 115665478
3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
CID 106811257
2-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 130419260
2-[3-aminopropyl(2-methoxyethyl)amino]ethanol
CID 63287082
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
CID 107870720
3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropan-1-ol
CID 115872995
6-[2-hydroxyethyl(2-methoxyethyl)amino]hexan-3-one
CID 106801581

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol (CID 114495808) is 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CN(CCO)CCOC.
What is the InChIKey of 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol?
The InChIKey is NFARZCWCKFRMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-4-11(14,5-2)10-12(6-8-13)7-9-15-3/h13-14H,4-10H2,1-3H3.
What are the key properties of 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol?
3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol has a molecular weight of 219.32 g/mol, XLogP of 0.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 114495808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).