2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol

C13H30N2O — CID 62272801

IUPAC2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol
SMILESCCNCC(C)(CC)CN(CCO)C(C)C
InChIInChI=1S/C13H30N2O/c1-6-13(5,10-14-7-2)11-15(8-9-16)12(3)4/h12,14,16H,6-11H2,1-5H3
InChIKeyZQMIQDBBNAVFJI-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.71
Rot. Bonds9

About 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol

2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol (PubChem CID 62272801) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol
PubChem CID62272801
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol
SMILESCCNCC(C)(CC)CN(CCO)C(C)C
InChIInChI=1S/C13H30N2O/c1-6-13(5,10-14-7-2)11-15(8-9-16)12(3)4/h12,14,16H,6-11H2,1-5H3
InChIKeyZQMIQDBBNAVFJI-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol (CID 62272801) is 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol is CCNCC(C)(CC)CN(CCO)C(C)C.
What is the InChIKey of 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol?
The InChIKey is ZQMIQDBBNAVFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-13(5,10-14-7-2)11-15(8-9-16)12(3)4/h12,14,16H,6-11H2,1-5H3.
What are the key properties of 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol?
2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol has a molecular weight of 230.40 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 62272801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).