2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol

C15H34N2O — CID 55051933

IUPAC2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol
SMILESCCCC(C)(CNC(C)(C)C)CN(CC)CCO
InChIInChI=1S/C15H34N2O/c1-7-9-15(6,12-16-14(3,4)5)13-17(8-2)10-11-18/h16,18H,7-13H2,1-6H3
InChIKeyPCEOFJXXFMMYIW-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.50
Rot. Bonds9

About 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol

2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol (PubChem CID 55051933) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol
PubChem CID55051933
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol
SMILESCCCC(C)(CNC(C)(C)C)CN(CC)CCO
InChIInChI=1S/C15H34N2O/c1-7-9-15(6,12-16-14(3,4)5)13-17(8-2)10-11-18/h16,18H,7-13H2,1-6H3
InChIKeyPCEOFJXXFMMYIW-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol?
The IUPAC name of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol (CID 55051933) is 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol is CCCC(C)(CNC(C)(C)C)CN(CC)CCO.
What is the InChIKey of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol?
The InChIKey is PCEOFJXXFMMYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-7-9-15(6,12-16-14(3,4)5)13-17(8-2)10-11-18/h16,18H,7-13H2,1-6H3.
What are the key properties of 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol?
2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol has a molecular weight of 258.45 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol is sourced from PubChem (CID 55051933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).