2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol

C13H30N2O2 — CID 55056321

IUPAC2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCC(C)(CNCC)CN(CCO)CCO
InChIInChI=1S/C13H30N2O2/c1-4-6-13(3,11-14-5-2)12-15(7-9-16)8-10-17/h14,16-17H,4-12H2,1-3H3
InChIKeyBXQRFWXWYICNMY-UHFFFAOYSA-N
MW246.39 g/mol
LogP0.69
Rot. Bonds11

About 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol

2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 55056321) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID55056321
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCC(C)(CNCC)CN(CCO)CCO
InChIInChI=1S/C13H30N2O2/c1-4-6-13(3,11-14-5-2)12-15(7-9-16)8-10-17/h14,16-17H,4-12H2,1-3H3
InChIKeyBXQRFWXWYICNMY-UHFFFAOYSA-N
XLogP0.69
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-((3-(Dimethylamino)-2,2-dimethylpropyl)amino)ethanol
CID 3020016
2-[2,2-Difluoroethyl-[4,4-dimethyl-3-(methylamino)pentyl]amino]ethanol
CID 107486484
2-[2,2-Difluoroethyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
CID 107486518
2-[[2-[(Tert-butylamino)methyl]-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486519
2-[[2-(Aminomethyl)-2-methylpentyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486600
2-[2,2-Difluoroethyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol
CID 107486614
2-[2,2-Difluoroethyl-[2-methyl-2-(propylaminomethyl)pentyl]amino]ethanol
CID 107486621
2-[2,2-Difluoroethyl-[2-methyl-2-[(2-methylpropylamino)methyl]pentyl]amino]ethanol
CID 107486622
2-[2,2-Difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol
CID 107486710
2-[[4,4-Dimethyl-3-(methylamino)pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486790
2-[[2-Methyl-2-[(propan-2-ylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486836
2-[[2-[(Tert-butylamino)methyl]-2-methylpentyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486837

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol (CID 55056321) is 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol is CCCC(C)(CNCC)CN(CCO)CCO.
What is the InChIKey of 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is BXQRFWXWYICNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-4-6-13(3,11-14-5-2)12-15(7-9-16)8-10-17/h14,16-17H,4-12H2,1-3H3.
What are the key properties of 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 246.39 g/mol, XLogP of 0.69, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylaminomethyl)-2-methylpentyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 55056321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).