2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol

C15H34N2O2 — CID 55056371

IUPAC2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCC(CC)(CNCC(C)C)CN(CCO)CCO
InChIInChI=1S/C15H34N2O2/c1-5-15(6-2,12-16-11-14(3)4)13-17(7-9-18)8-10-19/h14,16,18-19H,5-13H2,1-4H3
InChIKeyWNSCHTMNRRHJNB-UHFFFAOYSA-N
MW274.45 g/mol
LogP1.33
Rot. Bonds12

About 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol

2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 55056371) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID55056371
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCC(CC)(CNCC(C)C)CN(CCO)CCO
InChIInChI=1S/C15H34N2O2/c1-5-15(6-2,12-16-11-14(3)4)13-17(7-9-18)8-10-19/h14,16,18-19H,5-13H2,1-4H3
InChIKeyWNSCHTMNRRHJNB-UHFFFAOYSA-N
XLogP1.33
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol
CID 62271517
2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056370
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
CID 79377983
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-propylamino]ethanol
CID 55056097
N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257932
2-[ethyl-[2-methyl-3-(2-methylpropylamino)-2-phenylpropyl]amino]ethanol
CID 62258274
N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55195024
2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol
CID 22218619
2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol (CID 55056371) is 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol is CCC(CC)(CNCC(C)C)CN(CCO)CCO.
What is the InChIKey of 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is WNSCHTMNRRHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O2/c1-5-15(6-2,12-16-11-14(3)4)13-17(7-9-18)8-10-19/h14,16,18-19H,5-13H2,1-4H3.
What are the key properties of 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 274.45 g/mol, XLogP of 1.33, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 55056371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).