1-[1-(aziridin-1-yl)ethyl]aziridine

C6H12N2 — CID 175406803

IUPAC1-[1-(aziridin-1-yl)ethyl]aziridine
SMILESCC(N1CC1)N1CC1
InChIInChI=1S/C6H12N2/c1-6(7-2-3-7)8-4-5-8/h6H,2-5H2,1H3
InChIKeyRZBXGFJNLUTICX-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.04
Rot. Bonds2

About 1-[1-(aziridin-1-yl)ethyl]aziridine

1-[1-(aziridin-1-yl)ethyl]aziridine (PubChem CID 175406803) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-[1-(aziridin-1-yl)ethyl]aziridine.

Molecular Properties

Compound Name1-[1-(aziridin-1-yl)ethyl]aziridine
PubChem CID175406803
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-[1-(aziridin-1-yl)ethyl]aziridine
SMILESCC(N1CC1)N1CC1
InChIInChI=1S/C6H12N2/c1-6(7-2-3-7)8-4-5-8/h6H,2-5H2,1H3
InChIKeyRZBXGFJNLUTICX-UHFFFAOYSA-N
XLogP-0.04
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dicyclohexyl-7-[1-(4,7-dicyclohexyl-1,4,7-triazonan-1-yl)ethyl]-1,4,7-triazonane
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1-[4-(1-arsanylethyl)piperazin-1-yl]ethylarsane
CID 173199975
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-(1-methoxyethyl)aziridine
CID 87933654
trimethyl-[1-[4-[1-(trimethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium
CID 21418888
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1,4-bis(4-methylpentan-2-yl)piperazine
CID 3064079
1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide
CID 3064078
1-chloro-4-(1-chloroethyl)piperazine
CID 139964623
N-ethyl-1-[4-[1-(ethylamino)propyl]piperazin-1-yl]propan-1-amine
CID 71001816
N-methyl-1-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 170298365
1,3-di(propan-2-yl)imidazolidine;hydron;tetrafluoroborate
CID 174610803

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aziridin-1-yl)ethyl]aziridine?
The IUPAC name of 1-[1-(aziridin-1-yl)ethyl]aziridine (CID 175406803) is 1-[1-(aziridin-1-yl)ethyl]aziridine.
What is the SMILES notation for 1-[1-(aziridin-1-yl)ethyl]aziridine?
The canonical SMILES for 1-[1-(aziridin-1-yl)ethyl]aziridine is CC(N1CC1)N1CC1.
What is the InChIKey of 1-[1-(aziridin-1-yl)ethyl]aziridine?
The InChIKey is RZBXGFJNLUTICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(7-2-3-7)8-4-5-8/h6H,2-5H2,1H3.
What are the key properties of 1-[1-(aziridin-1-yl)ethyl]aziridine?
1-[1-(aziridin-1-yl)ethyl]aziridine has a molecular weight of 112.18 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aziridin-1-yl)ethyl]aziridine is sourced from PubChem (CID 175406803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).