1-[1-(dimethylamino)ethoxy]ethyl formate

C7H15NO3 — CID 173099099

IUPAC1-[1-(dimethylamino)ethoxy]ethyl formate
SMILESCC(OC=O)OC(C)N(C)C
InChIInChI=1S/C7H15NO3/c1-6(8(3)4)11-7(2)10-5-9/h5-7H,1-4H3
InChIKeyGEUIMBICRNOXDY-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.43
Rot. Bonds5

About 1-[1-(dimethylamino)ethoxy]ethyl formate

1-[1-(dimethylamino)ethoxy]ethyl formate (PubChem CID 173099099) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-[1-(dimethylamino)ethoxy]ethyl formate.

Molecular Properties

Compound Name1-[1-(dimethylamino)ethoxy]ethyl formate
PubChem CID173099099
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-[1-(dimethylamino)ethoxy]ethyl formate
SMILESCC(OC=O)OC(C)N(C)C
InChIInChI=1S/C7H15NO3/c1-6(8(3)4)11-7(2)10-5-9/h5-7H,1-4H3
InChIKeyGEUIMBICRNOXDY-UHFFFAOYSA-N
XLogP0.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(dimethylamino)ethoxy]ethyl carbamate
CID 22641132
1-[dimethylamino(methyl)amino]ethyl formate
CID 54171702
1-[1-(dimethylamino)ethoxy]ethanol
CID 20544002
propan-2-yl formate;dihydrochloride
CID 141306590
1-iodoethyl formate
CID 54523341
1-(3-methylbutoxy)ethyl formate
CID 173200690
2-(1-formyloxyethoxy)acetic acid
CID 88859959
4-formyloxypentan-2-yl formate
CID 123880614
(1S)-1-methoxy-N,N-dimethylethanamine
CID 89341126
1-[2-(2,2,2-trichloroethoxy)ethoxy]ethyl formate
CID 90948172
[methyl(propan-2-yl)amino] formate
CID 174589293
[1-(1-chloroethoxy)-2-(diethylamino)-2-oxoethyl] formate
CID 57277263

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)ethoxy]ethyl formate?
The IUPAC name of 1-[1-(dimethylamino)ethoxy]ethyl formate (CID 173099099) is 1-[1-(dimethylamino)ethoxy]ethyl formate.
What is the SMILES notation for 1-[1-(dimethylamino)ethoxy]ethyl formate?
The canonical SMILES for 1-[1-(dimethylamino)ethoxy]ethyl formate is CC(OC=O)OC(C)N(C)C.
What is the InChIKey of 1-[1-(dimethylamino)ethoxy]ethyl formate?
The InChIKey is GEUIMBICRNOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(8(3)4)11-7(2)10-5-9/h5-7H,1-4H3.
What are the key properties of 1-[1-(dimethylamino)ethoxy]ethyl formate?
1-[1-(dimethylamino)ethoxy]ethyl formate has a molecular weight of 161.20 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)ethoxy]ethyl formate is sourced from PubChem (CID 173099099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).