1-[1-(pentan-3-ylamino)ethoxy]ethanol

C9H21NO2 — CID 174943927

IUPAC1-[1-(pentan-3-ylamino)ethoxy]ethanol
SMILESCCC(CC)NC(C)OC(C)O
InChIInChI=1S/C9H21NO2/c1-5-9(6-2)10-7(3)12-8(4)11/h7-11H,5-6H2,1-4H3
InChIKeyPVZGMMLYJVAJHV-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.47
Rot. Bonds6

About 1-[1-(pentan-3-ylamino)ethoxy]ethanol

1-[1-(pentan-3-ylamino)ethoxy]ethanol (PubChem CID 174943927) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-[1-(pentan-3-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name1-[1-(pentan-3-ylamino)ethoxy]ethanol
PubChem CID174943927
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-[1-(pentan-3-ylamino)ethoxy]ethanol
SMILESCCC(CC)NC(C)OC(C)O
InChIInChI=1S/C9H21NO2/c1-5-9(6-2)10-7(3)12-8(4)11/h7-11H,5-6H2,1-4H3
InChIKeyPVZGMMLYJVAJHV-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(pentan-3-ylamino)ethanol
CID 18004281
propane;N-propan-2-ylpentan-3-amine
CID 144761250
ethanol;1-propan-2-yloxyethanol
CID 87638042
(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
CID 28724744
(2S)-2-methyl-1-(propan-2-ylamino)butan-1-ol
CID 153316647
1-(1-diethoxysilylbutan-2-ylamino)ethanol
CID 173029287
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
1-(1-ethoxyethylamino)ethanol
CID 18004306
1-(1-propoxyethylamino)propan-1-ol
CID 174540244
amino 2-amino-2-(pentan-3-ylamino)acetate
CID 89231913
3-(2-hydroxypentan-3-yloxy)pentan-2-ol
CID 138539314
N-pentan-3-ylhexan-3-amine
CID 62118915

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pentan-3-ylamino)ethoxy]ethanol?
The IUPAC name of 1-[1-(pentan-3-ylamino)ethoxy]ethanol (CID 174943927) is 1-[1-(pentan-3-ylamino)ethoxy]ethanol.
What is the SMILES notation for 1-[1-(pentan-3-ylamino)ethoxy]ethanol?
The canonical SMILES for 1-[1-(pentan-3-ylamino)ethoxy]ethanol is CCC(CC)NC(C)OC(C)O.
What is the InChIKey of 1-[1-(pentan-3-ylamino)ethoxy]ethanol?
The InChIKey is PVZGMMLYJVAJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-9(6-2)10-7(3)12-8(4)11/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-[1-(pentan-3-ylamino)ethoxy]ethanol?
1-[1-(pentan-3-ylamino)ethoxy]ethanol has a molecular weight of 175.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pentan-3-ylamino)ethoxy]ethanol is sourced from PubChem (CID 174943927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).