2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol

C16H36N2O — CID 62271517

IUPAC2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol
SMILESCCC(CC)(CNCC(C)C)CN(CCO)C(C)C
InChIInChI=1S/C16H36N2O/c1-7-16(8-2,12-17-11-14(3)4)13-18(9-10-19)15(5)6/h14-15,17,19H,7-13H2,1-6H3
InChIKeyWEPQQKWDAMCBKO-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.74
Rot. Bonds11

About 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol

2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol (PubChem CID 62271517) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol
PubChem CID62271517
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol
SMILESCCC(CC)(CNCC(C)C)CN(CCO)C(C)C
InChIInChI=1S/C16H36N2O/c1-7-16(8-2,12-17-11-14(3)4)13-18(9-10-19)15(5)6/h14-15,17,19H,7-13H2,1-6H3
InChIKeyWEPQQKWDAMCBKO-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol (CID 62271517) is 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol is CCC(CC)(CNCC(C)C)CN(CCO)C(C)C.
What is the InChIKey of 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol?
The InChIKey is WEPQQKWDAMCBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-16(8-2,12-17-11-14(3)4)13-18(9-10-19)15(5)6/h14-15,17,19H,7-13H2,1-6H3.
What are the key properties of 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol?
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol has a molecular weight of 272.48 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 62271517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).