2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol

C12H28N2O — CID 62257238

IUPAC2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol
SMILESCN(CCO)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-11(2,3)13-9-12(4,5)10-14(6)7-8-15/h13,15H,7-10H2,1-6H3
InChIKeyOICJACXPAYXOHA-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.32
Rot. Bonds6

About 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol

2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol (PubChem CID 62257238) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol
PubChem CID62257238
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol
SMILESCN(CCO)CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C12H28N2O/c1-11(2,3)13-9-12(4,5)10-14(6)7-8-15/h13,15H,7-10H2,1-6H3
InChIKeyOICJACXPAYXOHA-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol?
The IUPAC name of 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol (CID 62257238) is 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol?
The canonical SMILES for 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol is CN(CCO)CC(C)(C)CNC(C)(C)C.
What is the InChIKey of 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol?
The InChIKey is OICJACXPAYXOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2,3)13-9-12(4,5)10-14(6)7-8-15/h13,15H,7-10H2,1-6H3.
What are the key properties of 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol?
2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol has a molecular weight of 216.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-methylamino]ethanol is sourced from PubChem (CID 62257238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).