3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane

C9H23NO3 — CID 158407678

IUPAC3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
SMILESC.OCCCN(CCO)CCCO
InChIInChI=1S/C8H19NO3.CH4/c10-6-1-3-9(5-8-12)4-2-7-11;/h10-12H,1-8H2;1H4
InChIKeyGYXCSDQSTKAUGH-UHFFFAOYSA-N
MW193.29 g/mol
LogP-0.32
Rot. Bonds8

About 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane

3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane (PubChem CID 158407678) has the molecular formula C9H23NO3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane.

Molecular Properties

Compound Name3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
PubChem CID158407678
Molecular FormulaC9H23NO3
Molecular Weight193.29 g/mol
Exact Mass193.17
IUPAC Name3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
SMILESC.OCCCN(CCO)CCCO
InChIInChI=1S/C8H19NO3.CH4/c10-6-1-3-9(5-8-12)4-2-7-11;/h10-12H,1-8H2;1H4
InChIKeyGYXCSDQSTKAUGH-UHFFFAOYSA-N
XLogP-0.32
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
3-[3-[bis[3-[bis(3-hydroxypropyl)amino]propyl]amino]propyl-(3-hydroxypropyl)amino]propan-1-ol
CID 176699936
3-[bis(3-hydroxypropyl)amino]propan-1-ol;boric acid
CID 87147461
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane?
The IUPAC name of 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane (CID 158407678) is 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane.
What is the SMILES notation for 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane?
The canonical SMILES for 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane is C.OCCCN(CCO)CCCO.
What is the InChIKey of 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane?
The InChIKey is GYXCSDQSTKAUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3.CH4/c10-6-1-3-9(5-8-12)4-2-7-11;/h10-12H,1-8H2;1H4.
What are the key properties of 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane?
3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane has a molecular weight of 193.29 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane is sourced from PubChem (CID 158407678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).