2,4-bis(ethylamino)octane-1,5-diol

C12H28N2O2 — CID 174656543

IUPAC2,4-bis(ethylamino)octane-1,5-diol
SMILESCCCC(O)C(CC(CO)NCC)NCC
InChIInChI=1S/C12H28N2O2/c1-4-7-12(16)11(14-6-3)8-10(9-15)13-5-2/h10-16H,4-9H2,1-3H3
InChIKeyKQPGJWUFIVAXTA-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.49
Rot. Bonds10

About 2,4-bis(ethylamino)octane-1,5-diol

2,4-bis(ethylamino)octane-1,5-diol (PubChem CID 174656543) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2,4-bis(ethylamino)octane-1,5-diol.

Molecular Properties

Compound Name2,4-bis(ethylamino)octane-1,5-diol
PubChem CID174656543
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name2,4-bis(ethylamino)octane-1,5-diol
SMILESCCCC(O)C(CC(CO)NCC)NCC
InChIInChI=1S/C12H28N2O2/c1-4-7-12(16)11(14-6-3)8-10(9-15)13-5-2/h10-16H,4-9H2,1-3H3
InChIKeyKQPGJWUFIVAXTA-UHFFFAOYSA-N
XLogP0.49
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(ethylamino)octan-1-ol
CID 174812518
2-(ethylamino)nonan-1-ol
CID 61050713
2-(ethylamino)-4-octoxybutan-1-ol
CID 64811462
2-(ethylamino)-4-[methyl(propyl)amino]butan-1-ol
CID 64798712
2-(2-hydroxypropylamino)pentan-1-ol
CID 126754645
4-methyl-2-(2-methylpentylamino)pentan-1-ol
CID 61245377
2-(ethylamino)-3-methylsulfanylpropan-1-ol
CID 64806015
2-(ethylamino)-4-(4-methylpiperazin-1-yl)butan-1-ol
CID 64797363
1-(ethylamino)propane-1,2,3-triol
CID 163812588
4-(ethylamino)hexan-3-ol
CID 130632244
2-(hydroxymethylamino)hexan-3-ol
CID 87770295
(2R,3R)-3-(methylamino)hexane-1,2-diol
CID 55287871

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethylamino)octane-1,5-diol?
The IUPAC name of 2,4-bis(ethylamino)octane-1,5-diol (CID 174656543) is 2,4-bis(ethylamino)octane-1,5-diol.
What is the SMILES notation for 2,4-bis(ethylamino)octane-1,5-diol?
The canonical SMILES for 2,4-bis(ethylamino)octane-1,5-diol is CCCC(O)C(CC(CO)NCC)NCC.
What is the InChIKey of 2,4-bis(ethylamino)octane-1,5-diol?
The InChIKey is KQPGJWUFIVAXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-4-7-12(16)11(14-6-3)8-10(9-15)13-5-2/h10-16H,4-9H2,1-3H3.
What are the key properties of 2,4-bis(ethylamino)octane-1,5-diol?
2,4-bis(ethylamino)octane-1,5-diol has a molecular weight of 232.37 g/mol, XLogP of 0.49, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethylamino)octane-1,5-diol is sourced from PubChem (CID 174656543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).