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

C7H16N2O3 — CID 22641132

IUPAC1-[1-(dimethylamino)ethoxy]ethyl carbamate
SMILESCC(OC(N)=O)OC(C)N(C)C
InChIInChI=1S/C7H16N2O3/c1-5(9(3)4)11-6(2)12-7(8)10/h5-6H,1-4H3,(H2,8,10)
InChIKeyBFEFECZFBYHEOO-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.35
Rot. Bonds4

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

1-[1-(dimethylamino)ethoxy]ethyl carbamate (PubChem CID 22641132) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-[1-(dimethylamino)ethoxy]ethyl carbamate.

Molecular Properties

Compound Name1-[1-(dimethylamino)ethoxy]ethyl carbamate
PubChem CID22641132
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1-[1-(dimethylamino)ethoxy]ethyl carbamate
SMILESCC(OC(N)=O)OC(C)N(C)C
InChIInChI=1S/C7H16N2O3/c1-5(9(3)4)11-6(2)12-7(8)10/h5-6H,1-4H3,(H2,8,10)
InChIKeyBFEFECZFBYHEOO-UHFFFAOYSA-N
XLogP0.35
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropoxy)ethyl carbamate
CID 21498365
1-[1-(dimethylamino)ethoxy]ethyl formate
CID 173099099
1-[1-(dimethylamino)ethoxy]ethanol
CID 20544002
azane;propan-2-yl carbamate
CID 172769477
1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
1-tert-butylperoxyethyl carbamate
CID 175429288
3-hydroxybutan-2-yl carbamate
CID 20700654
1-(dimethylamino)ethyl 2-hydroxyacetate
CID 154486667
2-aminopropanamide;1-(dimethylamino)ethyl prop-2-enoate
CID 174598026
silver;propan-2-amine;propan-2-yl carbamate
CID 172719608
propan-2-yl carbamate;2,2,2-trifluoroacetic acid
CID 172725530
(1-fluoro-1-oxopropan-2-yl) carbamate
CID 118471736

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)ethoxy]ethyl carbamate?
The IUPAC name of 1-[1-(dimethylamino)ethoxy]ethyl carbamate (CID 22641132) is 1-[1-(dimethylamino)ethoxy]ethyl carbamate.
What is the SMILES notation for 1-[1-(dimethylamino)ethoxy]ethyl carbamate?
The canonical SMILES for 1-[1-(dimethylamino)ethoxy]ethyl carbamate is CC(OC(N)=O)OC(C)N(C)C.
What is the InChIKey of 1-[1-(dimethylamino)ethoxy]ethyl carbamate?
The InChIKey is BFEFECZFBYHEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5(9(3)4)11-6(2)12-7(8)10/h5-6H,1-4H3,(H2,8,10).
What are the key properties of 1-[1-(dimethylamino)ethoxy]ethyl carbamate?
1-[1-(dimethylamino)ethoxy]ethyl carbamate has a molecular weight of 176.22 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)ethoxy]ethyl carbamate is sourced from PubChem (CID 22641132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).