3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol

C11H25NO3 — CID 106309987

IUPAC3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCOCCO
InChIInChI=1S/C11H25NO3/c1-3-11(14,4-2)10-12-6-5-8-15-9-7-13/h12-14H,3-10H2,1-2H3
InChIKeyQRDZXGCBWUAAHY-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.53
Rot. Bonds10

About 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol

3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol (PubChem CID 106309987) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol
PubChem CID106309987
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCOCCO
InChIInChI=1S/C11H25NO3/c1-3-11(14,4-2)10-12-6-5-8-15-9-7-13/h12-14H,3-10H2,1-2H3
InChIKeyQRDZXGCBWUAAHY-UHFFFAOYSA-N
XLogP0.53
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-butoxyethylamino)methyl]pentan-3-ol
CID 65111219
2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid
CID 106305482
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
2-ethyl-2-[(3-propoxypropylamino)methyl]butan-1-ol
CID 82942000
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pentan-3-ol
CID 114493779
2-[3-(tert-butylamino)propoxy]ethanol
CID 150900173
3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol
CID 66186020

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol (CID 106309987) is 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCCOCCO.
What is the InChIKey of 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol?
The InChIKey is QRDZXGCBWUAAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-3-11(14,4-2)10-12-6-5-8-15-9-7-13/h12-14H,3-10H2,1-2H3.
What are the key properties of 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol?
3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol has a molecular weight of 219.32 g/mol, XLogP of 0.53, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol is sourced from PubChem (CID 106309987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).