2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol

C9H21NO2 — CID 107886008

IUPAC2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
SMILESCCCC(C)N(CCO)CCO
InChIInChI=1S/C9H21NO2/c1-3-4-9(2)10(5-7-11)6-8-12/h9,11-12H,3-8H2,1-2H3
InChIKeyPJUBGNWYYWIUMS-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.46
Rot. Bonds7

About 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol

2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol (PubChem CID 107886008) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
PubChem CID107886008
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
SMILESCCCC(C)N(CCO)CCO
InChIInChI=1S/C9H21NO2/c1-3-4-9(2)10(5-7-11)6-8-12/h9,11-12H,3-8H2,1-2H3
InChIKeyPJUBGNWYYWIUMS-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-aminobutan-2-yl(propyl)amino]ethanol
CID 61424926
N,N-dibutylpentan-2-amine;hydrate
CID 172857272
2-[ethyl-(pentan-2-ylamino)amino]ethanol
CID 175132425
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
CID 159290129
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
N,N-dihydroxypentan-2-amine
CID 87329779
N-(2-bromoethyl)-N-ethylpentan-2-amine
CID 107887496
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol (CID 107886008) is 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol is CCCC(C)N(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol?
The InChIKey is PJUBGNWYYWIUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-3-4-9(2)10(5-7-11)6-8-12/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol?
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol has a molecular weight of 175.27 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol is sourced from PubChem (CID 107886008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).