1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol

C7H18N2O2 — CID 140991632

IUPAC1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol
SMILESCNCCN(C(C)O)C(C)O
InChIInChI=1S/C7H18N2O2/c1-6(10)9(7(2)11)5-4-8-3/h6-8,10-11H,4-5H2,1-3H3
InChIKeyTUBLYCUWZHQUNM-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.82
Rot. Bonds5

About 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol

1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol (PubChem CID 140991632) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol.

Molecular Properties

Compound Name1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol
PubChem CID140991632
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol
SMILESCNCCN(C(C)O)C(C)O
InChIInChI=1S/C7H18N2O2/c1-6(10)9(7(2)11)5-4-8-3/h6-8,10-11H,4-5H2,1-3H3
InChIKeyTUBLYCUWZHQUNM-UHFFFAOYSA-N
XLogP-0.82
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142040763
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
CID 19091199
3-[bis(1-hydroxyethyl)amino]propan-1-ol
CID 57254428
methyl-[2-(methylamino)ethyl]carbamic acid;2-methylpropane
CID 161126143
1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol
CID 87930243
1-[4-aminobutyl(1-hydroxyethyl)amino]ethanol
CID 57194430
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
CID 87634485
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol
CID 54281081

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol?
The IUPAC name of 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol (CID 140991632) is 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol.
What is the SMILES notation for 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol?
The canonical SMILES for 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol is CNCCN(C(C)O)C(C)O.
What is the InChIKey of 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol?
The InChIKey is TUBLYCUWZHQUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-6(10)9(7(2)11)5-4-8-3/h6-8,10-11H,4-5H2,1-3H3.
What are the key properties of 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol?
1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol has a molecular weight of 162.23 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol is sourced from PubChem (CID 140991632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).