N,N-dimethylethenamine;ethane-1,2-diol

C6H15NO2 — CID 88731218

IUPACN,N-dimethylethenamine;ethane-1,2-diol
SMILESC=CN(C)C.OCCO
InChIInChI=1S/C4H9N.C2H6O2/c1-4-5(2)3;3-1-2-4/h4H,1H2,2-3H3;3-4H,1-2H2
InChIKeyKNYYRSSAYZUSTQ-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.34
Rot. Bonds2

About N,N-dimethylethenamine;ethane-1,2-diol

N,N-dimethylethenamine;ethane-1,2-diol (PubChem CID 88731218) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is N,N-dimethylethenamine;ethane-1,2-diol.

Molecular Properties

Compound NameN,N-dimethylethenamine;ethane-1,2-diol
PubChem CID88731218
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC NameN,N-dimethylethenamine;ethane-1,2-diol
SMILESC=CN(C)C.OCCO
InChIInChI=1S/C4H9N.C2H6O2/c1-4-5(2)3;3-1-2-4/h4H,1H2,2-3H3;3-4H,1-2H2
InChIKeyKNYYRSSAYZUSTQ-UHFFFAOYSA-N
XLogP-0.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethylethenamine;hydron
CID 174680801
N,N-dimethylprop-2-en-1-amine;ethane-1,2-diol
CID 87069649
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
buta-1,3-diene;bis(ethane-1,2-diol)
CID 87919637
ethane-1,2-diol;ethenamine
CID 87086084
ethane-1,2-diol;N-methylethenamine
CID 88730727
ethane-1,2-diol;propane-1,3-diol;bis(prop-1-ene)
CID 173377464
ethane-1,2-diol;propane-1,3-diol;prop-1-ene
CID 87614722
ethane-1,2-diol;propan-2-ol;prop-1-ene
CID 87786416
ethane-1,2-diol;ethene
CID 173008703
(ethane-1,2-diol);ethene
CID 173372663
ethane-1,2-diol;prop-2-en-1-amine
CID 87098276

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethenamine;ethane-1,2-diol?
The IUPAC name of N,N-dimethylethenamine;ethane-1,2-diol (CID 88731218) is N,N-dimethylethenamine;ethane-1,2-diol.
What is the SMILES notation for N,N-dimethylethenamine;ethane-1,2-diol?
The canonical SMILES for N,N-dimethylethenamine;ethane-1,2-diol is C=CN(C)C.OCCO.
What is the InChIKey of N,N-dimethylethenamine;ethane-1,2-diol?
The InChIKey is KNYYRSSAYZUSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C2H6O2/c1-4-5(2)3;3-1-2-4/h4H,1H2,2-3H3;3-4H,1-2H2.
What are the key properties of N,N-dimethylethenamine;ethane-1,2-diol?
N,N-dimethylethenamine;ethane-1,2-diol has a molecular weight of 133.19 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethenamine;ethane-1,2-diol is sourced from PubChem (CID 88731218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).