2-[bis(2-methylpropyl)amino]ethanol;hydrochloride

C10H24ClNO — CID 3063124

IUPAC2-[bis(2-methylpropyl)amino]ethanol;hydrochloride
SMILESCC(C)CN(CCO)CC(C)C.Cl
InChIInChI=1S/C10H23NO.ClH/c1-9(2)7-11(5-6-12)8-10(3)4;/h9-10,12H,5-8H2,1-4H3;1H
InChIKeyMUVANMGGADTFQP-UHFFFAOYSA-N
MW209.76 g/mol
LogP2.01
Rot. Bonds6

About 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride

2-[bis(2-methylpropyl)amino]ethanol;hydrochloride (PubChem CID 3063124) has the molecular formula C10H24ClNO and a molecular weight of 209.76 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]ethanol;hydrochloride
PubChem CID3063124
Molecular FormulaC10H24ClNO
Molecular Weight209.76 g/mol
Exact Mass209.15
IUPAC Name2-[bis(2-methylpropyl)amino]ethanol;hydrochloride
SMILESCC(C)CN(CCO)CC(C)C.Cl
InChIInChI=1S/C10H23NO.ClH/c1-9(2)7-11(5-6-12)8-10(3)4;/h9-10,12H,5-8H2,1-4H3;1H
InChIKeyMUVANMGGADTFQP-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.76
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Dibutylamino)ethanol
CID 7621
N-Butyldiethanolamine
CID 7620
2-Diethylaminoethanol hydrochloride
CID 84429
Ethanaminium, N,N,N-triethyl-2-hydroxy-, chloride (1:1)
CID 198804
Ethanol, 2,2'-(propylimino)bis-
CID 42848
2-(Dipropylamino)ethanol
CID 76721
2-Chloropropyl(diethyl)amine hydrochloride
CID 120823
1-(Dipropylamino)propan-2-ol
CID 99000
2-((3-(Dimethylamino)propyl)methylamino)ethanol
CID 3086144
Ammonium, (2-hydroxyethyl)tripropyl-, chloride
CID 57052
Ethanol, 2-(dipropylamino)-, hydrochloride
CID 199607
Choline, dibutyl-, iodide
CID 205386

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride (CID 3063124) is 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride is CC(C)CN(CCO)CC(C)C.Cl.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride?
The InChIKey is MUVANMGGADTFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO.ClH/c1-9(2)7-11(5-6-12)8-10(3)4;/h9-10,12H,5-8H2,1-4H3;1H.
What are the key properties of 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride?
2-[bis(2-methylpropyl)amino]ethanol;hydrochloride has a molecular weight of 209.76 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 3063124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).