1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol

C12H28N2O — CID 163994835

IUPAC1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol
SMILESCCN(CC)CCN(C(C)O)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-7-13(8-2)9-10-14(11(3)15)12(4,5)6/h11,15H,7-10H2,1-6H3
InChIKeyUDTRPLZMOJEBPE-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.77
Rot. Bonds6

About 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol

1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol (PubChem CID 163994835) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol.

Molecular Properties

Compound Name1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol
PubChem CID163994835
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol
SMILESCCN(CC)CCN(C(C)O)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-7-13(8-2)9-10-14(11(3)15)12(4,5)6/h11,15H,7-10H2,1-6H3
InChIKeyUDTRPLZMOJEBPE-UHFFFAOYSA-N
XLogP1.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-tert-butyl-2-N-ethylpropane-1,2-diamine
CID 131224561
2-[tert-butyl(ethyl)amino]propan-1-ol
CID 131224515
N-tert-butyl-3,3-dimethyl-N-propylbutan-2-amine
CID 126624378
5-(diethylamino)-2-methylpentan-2-ol
CID 14530143
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
(1S)-1-amino-1-[tert-butyl(propyl)amino]propan-2-ol
CID 87799868
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
7-(diethylamino)heptan-2-ol
CID 168866586
2-[tert-butyl(propan-2-yl)amino]ethanol
CID 54545866
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[tert-butyl(ethyl)amino]propanamide
CID 82040439

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol?
The IUPAC name of 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol (CID 163994835) is 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol.
What is the SMILES notation for 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol?
The canonical SMILES for 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol is CCN(CC)CCN(C(C)O)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol?
The InChIKey is UDTRPLZMOJEBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-7-13(8-2)9-10-14(11(3)15)12(4,5)6/h11,15H,7-10H2,1-6H3.
What are the key properties of 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol?
1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol has a molecular weight of 216.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl-[2-(diethylamino)ethyl]amino]ethanol is sourced from PubChem (CID 163994835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).