1-(dimethylamino)ethyl carbamate

C5H12N2O2 — CID 25079362

IUPAC1-(dimethylamino)ethyl carbamate
SMILESCC(OC(N)=O)N(C)C
InChIInChI=1S/C5H12N2O2/c1-4(7(2)3)9-5(6)8/h4H,1-3H3,(H2,6,8)
InChIKeyLLMITOZMSCEYMQ-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.01
Rot. Bonds2

About 1-(dimethylamino)ethyl carbamate

1-(dimethylamino)ethyl carbamate (PubChem CID 25079362) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl carbamate.

Molecular Properties

Compound Name1-(dimethylamino)ethyl carbamate
PubChem CID25079362
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name1-(dimethylamino)ethyl carbamate
SMILESCC(OC(N)=O)N(C)C
InChIInChI=1S/C5H12N2O2/c1-4(7(2)3)9-5(6)8/h4H,1-3H3,(H2,6,8)
InChIKeyLLMITOZMSCEYMQ-UHFFFAOYSA-N
XLogP-0.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 5831
Carbamylcholine
CID 2551
Choline, bromide, carbamate
CID 206532
2-Diethylaminoethyl carbamate
CID 458588
Carbamic acid, 2-(dimethylamino)ethyl ester
CID 48131
Ammonium, (3-hydroxypropyl)trimethyl-, iodide, carbamate
CID 47028
Ethanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-, iodide (1:1)
CID 200564
2-Carbamoyloxyethyl-ethyl-dimethylazanium
CID 15029218
1-Propanol, 3-(dimethylamino)-, 1-carbamate
CID 18759321
2-(Dimethylamino)ethyl carbamate;hydrochloride
CID 57493546
2-[2-Carbamoyloxyethyl(methyl)amino]ethyl carbamate
CID 354950
2-Carbamoyloxyethyl(trimethyl)azanium chloride
CID 521353

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl carbamate?
The IUPAC name of 1-(dimethylamino)ethyl carbamate (CID 25079362) is 1-(dimethylamino)ethyl carbamate.
What is the SMILES notation for 1-(dimethylamino)ethyl carbamate?
The canonical SMILES for 1-(dimethylamino)ethyl carbamate is CC(OC(N)=O)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl carbamate?
The InChIKey is LLMITOZMSCEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-4(7(2)3)9-5(6)8/h4H,1-3H3,(H2,6,8).
What are the key properties of 1-(dimethylamino)ethyl carbamate?
1-(dimethylamino)ethyl carbamate has a molecular weight of 132.16 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl carbamate is sourced from PubChem (CID 25079362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).