2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol

C9H21NO4 — CID 141087616

IUPAC2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol
SMILESCCCOC(CO)N(CCO)CCO
InChIInChI=1S/C9H21NO4/c1-2-7-14-9(8-13)10(3-5-11)4-6-12/h9,11-13H,2-8H2,1H3
InChIKeyADEGWJQRWWQUAC-UHFFFAOYSA-N
MW207.27 g/mol
LogP-0.98
Rot. Bonds9

About 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol

2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol (PubChem CID 141087616) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol
PubChem CID141087616
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol
SMILESCCCOC(CO)N(CCO)CCO
InChIInChI=1S/C9H21NO4/c1-2-7-14-9(8-13)10(3-5-11)4-6-12/h9,11-13H,2-8H2,1H3
InChIKeyADEGWJQRWWQUAC-UHFFFAOYSA-N
XLogP-0.98
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-propoxypropane-1,2,3-triol
CID 19757638
2-butoxy-2-(dimethylamino)ethanol
CID 170554858
2-[amino(2-hydroxyethyl)amino]-2-ethoxyethanol
CID 174950527
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008
2-propoxypentan-1-ol
CID 140655109
3-propoxyhexan-1-ol
CID 139839964
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
2-[2,2-diethoxyethyl(propan-2-yl)amino]ethanol
CID 63619203
N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine
CID 87357498
4-[bis(2-hydroxyethyl)amino]-1-decoxypentan-2-ol
CID 20977890
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
3-hydroxy-2-propoxypropanoic acid
CID 87915368

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol (CID 141087616) is 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol is CCCOC(CO)N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol?
The InChIKey is ADEGWJQRWWQUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4/c1-2-7-14-9(8-13)10(3-5-11)4-6-12/h9,11-13H,2-8H2,1H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol?
2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol has a molecular weight of 207.27 g/mol, XLogP of -0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol is sourced from PubChem (CID 141087616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).