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

C7H17NO2 — CID 8498

IUPAC2-[2-hydroxyethyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)CCO
InChIInChI=1S/C7H17NO2/c1-7(2)8(3-5-9)4-6-10/h7,9-10H,3-6H2,1-2H3
InChIKeyHHRGNKUNRVABBN-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.32
Rot. Bonds5

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

2-[2-hydroxyethyl(propan-2-yl)amino]ethanol (PubChem CID 8498) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propan-2-yl)amino]ethanol
PubChem CID8498
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-[2-hydroxyethyl(propan-2-yl)amino]ethanol
SMILESCC(C)N(CCO)CCO
InChIInChI=1S/C7H17NO2/c1-7(2)8(3-5-9)4-6-10/h7,9-10H,3-6H2,1-2H3
InChIKeyHHRGNKUNRVABBN-UHFFFAOYSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyldiethanolamine
CID 7767
Ethyldiethanolamine
CID 8769
N-Butyldiethanolamine
CID 7620
2-Diisopropylaminoethanol
CID 7313
tert-Butyldiethanolamine
CID 62430
2-Propanol, 1-[bis(2-hydroxyethyl)amino]-
CID 97712
1-Propanol, 2-(dimethylamino)-
CID 85865
Ethanaminium, 2-hydroxy-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride (1:1)
CID 162303
Ethanol, 2,2'-(propylimino)bis-
CID 42848
2-(Dipropylamino)ethanol
CID 76721
Ethanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, hydroxide (1:1)
CID 118525
Ethanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-
CID 23438

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol (CID 8498) is 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol is CC(C)N(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol?
The InChIKey is HHRGNKUNRVABBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-7(2)8(3-5-9)4-6-10/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol?
2-[2-hydroxyethyl(propan-2-yl)amino]ethanol has a molecular weight of 147.22 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 8498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).