1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol

C7H16N2O2 — CID 167265422

IUPAC1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol
SMILESC=C(NCC(O)N(C)C)OC
InChIInChI=1S/C7H16N2O2/c1-6(11-4)8-5-7(10)9(2)3/h7-8,10H,1,5H2,2-4H3
InChIKeyZHRUNHBLPSIHEP-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.43
Rot. Bonds5

About 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol

1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol (PubChem CID 167265422) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol.

Molecular Properties

Compound Name1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol
PubChem CID167265422
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol
SMILESC=C(NCC(O)N(C)C)OC
InChIInChI=1S/C7H16N2O2/c1-6(11-4)8-5-7(10)9(2)3/h7-8,10H,1,5H2,2-4H3
InChIKeyZHRUNHBLPSIHEP-UHFFFAOYSA-N
XLogP-0.43
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-[(1-methoxyethenylamino)methyl]-N-methylcarbamimidoyl chloride
CID 170082293
1-(dimethylamino)-2-[2-[2-(dimethylamino)-2-hydroxyethoxy]ethoxy]ethanol
CID 170282513
[1-methoxyethenyl(methyl)amino]methanol
CID 58422591
N-ethyl-N'-(1-methoxyethenyl)propane-1,3-diamine
CID 145423239
1-methoxy-N-methylethenamine
CID 22975960
N,4-dimethyl-N-prop-1-en-2-ylpenta-1,4-dien-2-amine
CID 146639074
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
N-methoxy-N-methylbut-1-en-2-amine
CID 156857821
2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464216
(3S)-3-(dimethylamino)but-1-en-2-ol
CID 90069632
N-[2-(dimethylamino)-3-methylbutyl]-2-methoxyacetamide
CID 60724343
2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 66167834

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol?
The IUPAC name of 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol (CID 167265422) is 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol.
What is the SMILES notation for 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol?
The canonical SMILES for 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol is C=C(NCC(O)N(C)C)OC.
What is the InChIKey of 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol?
The InChIKey is ZHRUNHBLPSIHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(11-4)8-5-7(10)9(2)3/h7-8,10H,1,5H2,2-4H3.
What are the key properties of 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol?
1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol has a molecular weight of 160.22 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-(1-methoxyethenylamino)ethanol is sourced from PubChem (CID 167265422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).