2-[2-ethylhexyl(pentan-3-yl)amino]ethanol

C15H33NO — CID 55191905

IUPAC2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
SMILESCCCCC(CC)CN(CCO)C(CC)CC
InChIInChI=1S/C15H33NO/c1-5-9-10-14(6-2)13-16(11-12-17)15(7-3)8-4/h14-15,17H,5-13H2,1-4H3
InChIKeyUYELEZLHRPWNER-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.69
Rot. Bonds11

About 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol

2-[2-ethylhexyl(pentan-3-yl)amino]ethanol (PubChem CID 55191905) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
PubChem CID55191905
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
SMILESCCCCC(CC)CN(CCO)C(CC)CC
InChIInChI=1S/C15H33NO/c1-5-9-10-14(6-2)13-16(11-12-17)15(7-3)8-4/h14-15,17H,5-13H2,1-4H3
InChIKeyUYELEZLHRPWNER-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476
2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
CID 143083923
5-[2-ethylhexyl(methyl)amino]pentan-1-ol
CID 107203981
2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine
CID 23135069
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
2-[2-ethylhexyl(2-hydroxyethoxy)amino]oxyethanol
CID 87223542
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
CID 175041251
2-[2,2-diethoxyethyl(pentan-3-yl)amino]ethanol
CID 63616990
2-[(3-bromo-2-methylpropyl)-pentan-3-ylamino]ethanol
CID 64995595

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol?
The IUPAC name of 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol (CID 55191905) is 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol is CCCCC(CC)CN(CCO)C(CC)CC.
What is the InChIKey of 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol?
The InChIKey is UYELEZLHRPWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-5-9-10-14(6-2)13-16(11-12-17)15(7-3)8-4/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol?
2-[2-ethylhexyl(pentan-3-yl)amino]ethanol has a molecular weight of 243.43 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylhexyl(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 55191905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).