2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol

C17H41N3O3 — CID 158773918

IUPAC2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(C)C1CCCCC1.CN(C)CCO.CN(CCO)CCO
InChIInChI=1S/C8H17N.C5H13NO2.C4H11NO/c1-9(2)8-6-4-3-5-7-8;1-6(2-4-7)3-5-8;1-5(2)3-4-6/h8H,3-7H2,1-2H3;7-8H,2-5H2,1H3;6H,3-4H2,1-2H3
InChIKeyIQFPOJAUJCQETG-UHFFFAOYSA-N
MW335.53 g/mol
LogP0.32
Rot. Bonds7

About 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol

2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 158773918) has the molecular formula C17H41N3O3 and a molecular weight of 335.53 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID158773918
Molecular FormulaC17H41N3O3
Molecular Weight335.53 g/mol
Exact Mass335.31
IUPAC Name2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(C)C1CCCCC1.CN(C)CCO.CN(CCO)CCO
InChIInChI=1S/C8H17N.C5H13NO2.C4H11NO/c1-9(2)8-6-4-3-5-7-8;1-6(2-4-7)3-5-8;1-5(2)3-4-6/h8H,3-7H2,1-2H3;7-8H,2-5H2,1H3;6H,3-4H2,1-2H3
InChIKeyIQFPOJAUJCQETG-UHFFFAOYSA-N
XLogP0.32
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.53
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
boric acid;tris(N,N-dimethylcyclohexanamine)
CID 172846334
N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
CID 159993444
cyclohexanol;N,N-diethylethanamine;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 159294837
benzene;N,N-dimethylcyclohexanamine
CID 142054055
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
copper;bis(2-(dimethylamino)ethanol)
CID 58904293
CID 161066727
CID 161066727
N,N-dimethylcyclobutanamine;N,N-dimethylmethanamine;ethane
CID 143754899
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol (CID 158773918) is 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol is CN(C)C1CCCCC1.CN(C)CCO.CN(CCO)CCO.
What is the InChIKey of 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is IQFPOJAUJCQETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C5H13NO2.C4H11NO/c1-9(2)8-6-4-3-5-7-8;1-6(2-4-7)3-5-8;1-5(2)3-4-6/h8H,3-7H2,1-2H3;7-8H,2-5H2,1H3;6H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol?
2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 335.53 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;N,N-dimethylcyclohexanamine;2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 158773918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).