2-(Diisobutylamino)ethanol

C10H23NO — CID 588421

IUPAC2-[bis(2-methylpropyl)amino]ethanol
SMILESCC(C)CN(CCO)CC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)7-11(5-6-12)8-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyUJCCSVVTAYOWLL-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.20
Rot. Bonds6

About 2-(Diisobutylamino)ethanol

2-(Diisobutylamino)ethanol (PubChem CID 588421) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-(Diisobutylamino)ethanol
PubChem CID588421
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-[bis(2-methylpropyl)amino]ethanol
SMILESCC(C)CN(CCO)CC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)7-11(5-6-12)8-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyUJCCSVVTAYOWLL-UHFFFAOYSA-N
XLogP2.20
TPSA23.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity92

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triisopropanolamine
CID 24730
2-(Dibutylamino)ethanol
CID 7621
N-Butyldiethanolamine
CID 7620
2-Diisopropylaminoethanol
CID 7313
tert-Butyldiethanolamine
CID 62430
Ethanaminium, N,N,N-triethyl-2-hydroxy-, iodide (1:1)
CID 80057
2-Propanol, 1,1'-[(2-hydroxyethyl)imino]bis-
CID 66315
2-Propanol, 1-(diethylamino)-
CID 95387
1-Dibutylaminopropan-2-ol
CID 294557
Ethanaminium, N,N,N-triethyl-2-hydroxy-, chloride (1:1)
CID 198804
Ethanol, 2,2'-(propylimino)bis-
CID 42848
2-(Dipropylamino)ethanol
CID 76721

Frequently Asked Questions

What is the IUPAC name of 2-(Diisobutylamino)ethanol?
The IUPAC name of 2-(Diisobutylamino)ethanol (CID 588421) is 2-[bis(2-methylpropyl)amino]ethanol.
What is the SMILES notation for 2-(Diisobutylamino)ethanol?
The canonical SMILES for 2-(Diisobutylamino)ethanol is CC(C)CN(CCO)CC(C)C.
What is the InChIKey of 2-(Diisobutylamino)ethanol?
The InChIKey is UJCCSVVTAYOWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)7-11(5-6-12)8-10(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(Diisobutylamino)ethanol?
2-(Diisobutylamino)ethanol has a molecular weight of 173.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Diisobutylamino)ethanol is sourced from PubChem (CID 588421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).