2-[ethyl(2-hydroxyethyl)amino]butan-1-ol

C8H19NO2 — CID 87456981

IUPAC2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
SMILESCCC(CO)N(CC)CCO
InChIInChI=1S/C8H19NO2/c1-3-8(7-11)9(4-2)5-6-10/h8,10-11H,3-7H2,1-2H3
InChIKeyRIDLAELISSCOQY-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.07
Rot. Bonds6

About 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol

2-[ethyl(2-hydroxyethyl)amino]butan-1-ol (PubChem CID 87456981) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
PubChem CID87456981
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
SMILESCCC(CO)N(CC)CCO
InChIInChI=1S/C8H19NO2/c1-3-8(7-11)9(4-2)5-6-10/h8,10-11H,3-7H2,1-2H3
InChIKeyRIDLAELISSCOQY-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-hydroxybutan-2-yl(2-hydroxyethyl)amino]ethanesulfonic acid
CID 170223353
1,2-dihydroxy-3-[1-hydroxybutan-2-yl(2-hydroxyethyl)amino]propane-1-sulfonate
CID 169065701
3-[ethyl(heptan-3-yl)amino]propan-1-ol
CID 88539912
3-[ethyl(pentyl)amino]pentan-1-ol
CID 168878790
3-[[1-[ethyl(2-hydroxyethyl)amino]-2-hydroxyethyl]amino]propan-1-ol
CID 22435941
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042
3-amino-2-[butyl(ethyl)amino]propan-1-ol
CID 104710797
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
CID 62016472
2-[ethyl(2-hydroxyethyl)amino]butanamide
CID 62900659
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008
2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol
CID 64995595

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol (CID 87456981) is 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol is CCC(CO)N(CC)CCO.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol?
The InChIKey is RIDLAELISSCOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-3-8(7-11)9(4-2)5-6-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol?
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol has a molecular weight of 161.25 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]butan-1-ol is sourced from PubChem (CID 87456981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).