2-(aziridin-1-yl)ethyl N-ethylcarbamate

C7H14N2O2 — CID 20801404

IUPAC2-(aziridin-1-yl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCN1CC1
InChIInChI=1S/C7H14N2O2/c1-2-8-7(10)11-6-5-9-3-4-9/h2-6H2,1H3,(H,8,10)
InChIKeyNHOAIWIIVGMPMM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.05
Rot. Bonds4

About 2-(aziridin-1-yl)ethyl N-ethylcarbamate

2-(aziridin-1-yl)ethyl N-ethylcarbamate (PubChem CID 20801404) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(aziridin-1-yl)ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-(aziridin-1-yl)ethyl N-ethylcarbamate
PubChem CID20801404
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(aziridin-1-yl)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCN1CC1
InChIInChI=1S/C7H14N2O2/c1-2-8-7(10)11-6-5-9-3-4-9/h2-6H2,1H3,(H,8,10)
InChIKeyNHOAIWIIVGMPMM-UHFFFAOYSA-N
XLogP0.05
TPSA41.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate
CID 174749311
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane
CID 177054296
2-(ethylcarbamoyloxy)ethyl 3-(2-methylaziridin-1-yl)propanoate
CID 123807514
N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
CID 86923511
ethane;ethyl N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 156869233
azane;ethyl N-ethylcarbamate
CID 88547448
3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
CID 62325479
1-O-methyl 4-O-[2-(4-methylpiperazin-1-yl)ethyl] butanedioate
CID 166761469
tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564
[(Z)-pent-3-enyl] N-ethylcarbamate
CID 170200580

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)ethyl N-ethylcarbamate?
The IUPAC name of 2-(aziridin-1-yl)ethyl N-ethylcarbamate (CID 20801404) is 2-(aziridin-1-yl)ethyl N-ethylcarbamate.
What is the SMILES notation for 2-(aziridin-1-yl)ethyl N-ethylcarbamate?
The canonical SMILES for 2-(aziridin-1-yl)ethyl N-ethylcarbamate is CCNC(=O)OCCN1CC1.
What is the InChIKey of 2-(aziridin-1-yl)ethyl N-ethylcarbamate?
The InChIKey is NHOAIWIIVGMPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-8-7(10)11-6-5-9-3-4-9/h2-6H2,1H3,(H,8,10).
What are the key properties of 2-(aziridin-1-yl)ethyl N-ethylcarbamate?
2-(aziridin-1-yl)ethyl N-ethylcarbamate has a molecular weight of 158.20 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)ethyl N-ethylcarbamate is sourced from PubChem (CID 20801404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).