2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol

C13H33N3O3 — CID 135210797

IUPAC2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol
SMILESCN(C)CCOCCO.CN(CCO)CC(C)(C)N
InChIInChI=1S/C7H18N2O.C6H15NO2/c1-7(2,8)6-9(3)4-5-10;1-7(2)3-5-9-6-4-8/h10H,4-6,8H2,1-3H3;8H,3-6H2,1-2H3
InChIKeyFUKOHPWOYYUWAX-UHFFFAOYSA-N
MW279.43 g/mol
LogP-0.80
Rot. Bonds9

About 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol

2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol (PubChem CID 135210797) has the molecular formula C13H33N3O3 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol
PubChem CID135210797
Molecular FormulaC13H33N3O3
Molecular Weight279.43 g/mol
Exact Mass279.25
IUPAC Name2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol
SMILESCN(C)CCOCCO.CN(CCO)CC(C)(C)N
InChIInChI=1S/C7H18N2O.C6H15NO2/c1-7(2,8)6-9(3)4-5-10;1-7(2)3-5-9-6-4-8/h10H,4-6,8H2,1-3H3;8H,3-6H2,1-2H3
InChIKeyFUKOHPWOYYUWAX-UHFFFAOYSA-N
XLogP-0.80
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanol
CID 61072006
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 89226278
2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid
CID 175688444
2-[2-[2-[amino(methyl)amino]ethoxy]ethoxy]ethanol
CID 87109457
N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine
CID 159941640
2-[[2-(2-aminoethoxy)-2-methylpropyl]-methylamino]ethanol
CID 87792104
1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol
CID 114243028
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol?
The IUPAC name of 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol (CID 135210797) is 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol?
The canonical SMILES for 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol is CN(C)CCOCCO.CN(CCO)CC(C)(C)N.
What is the InChIKey of 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol?
The InChIKey is FUKOHPWOYYUWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.C6H15NO2/c1-7(2,8)6-9(3)4-5-10;1-7(2)3-5-9-6-4-8/h10H,4-6,8H2,1-3H3;8H,3-6H2,1-2H3.
What are the key properties of 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol?
2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol has a molecular weight of 279.43 g/mol, XLogP of -0.80, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol is sourced from PubChem (CID 135210797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).