2-(dimethylamino)ethanol;heptane-1,3-diol

C11H27NO3 — CID 174958117

IUPAC2-(dimethylamino)ethanol;heptane-1,3-diol
SMILESCCCCC(O)CCO.CN(C)CCO
InChIInChI=1S/C7H16O2.C4H11NO/c1-2-3-4-7(9)5-6-8;1-5(2)3-4-6/h7-9H,2-6H2,1H3;6H,3-4H2,1-2H3
InChIKeySKKGFVHDAWOQIP-UHFFFAOYSA-N
MW221.34 g/mol
LogP0.46
Rot. Bonds7

About 2-(dimethylamino)ethanol;heptane-1,3-diol

2-(dimethylamino)ethanol;heptane-1,3-diol (PubChem CID 174958117) has the molecular formula C11H27NO3 and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;heptane-1,3-diol.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;heptane-1,3-diol
PubChem CID174958117
Molecular FormulaC11H27NO3
Molecular Weight221.34 g/mol
Exact Mass221.20
IUPAC Name2-(dimethylamino)ethanol;heptane-1,3-diol
SMILESCCCCC(O)CCO.CN(C)CCO
InChIInChI=1S/C7H16O2.C4H11NO/c1-2-3-4-7(9)5-6-8;1-5(2)3-4-6/h7-9H,2-6H2,1H3;6H,3-4H2,1-2H3
InChIKeySKKGFVHDAWOQIP-UHFFFAOYSA-N
XLogP0.46
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(dimethylamino)ethanol;propane-1,2,3-triol
CID 87640788
5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol
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2-[hexan-2-yl(methyl)amino]ethanol
CID 88539909
icosane-5,10-diol
CID 170722579
(5S)-octadecan-5-ol
CID 98231191
hexane-1,3-diol;hydrochloride
CID 141150111
tritetracontan-5-ol
CID 162898528
icosane-5,11-diol
CID 170722582
tetrakis(hexane-1,3-diol);titanium
CID 173060887
2-(dimethylamino)ethanol;ethanol;zirconium
CID 154069577

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;heptane-1,3-diol?
The IUPAC name of 2-(dimethylamino)ethanol;heptane-1,3-diol (CID 174958117) is 2-(dimethylamino)ethanol;heptane-1,3-diol.
What is the SMILES notation for 2-(dimethylamino)ethanol;heptane-1,3-diol?
The canonical SMILES for 2-(dimethylamino)ethanol;heptane-1,3-diol is CCCCC(O)CCO.CN(C)CCO.
What is the InChIKey of 2-(dimethylamino)ethanol;heptane-1,3-diol?
The InChIKey is SKKGFVHDAWOQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C4H11NO/c1-2-3-4-7(9)5-6-8;1-5(2)3-4-6/h7-9H,2-6H2,1H3;6H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanol;heptane-1,3-diol?
2-(dimethylamino)ethanol;heptane-1,3-diol has a molecular weight of 221.34 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;heptane-1,3-diol is sourced from PubChem (CID 174958117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).