1-[2-(aziridin-1-yl)ethyl]aziridine

C6H12N2 — CID 3009817

IUPAC1-[2-(aziridin-1-yl)ethyl]aziridine
SMILESC1CN1CCN1CC1
InChIInChI=1S/C6H12N2/c1-2-7(1)5-6-8-3-4-8/h1-6H2
InChIKeyYIQQNAISVQHIOJ-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.38
Rot. Bonds3

About 1-[2-(aziridin-1-yl)ethyl]aziridine

1-[2-(aziridin-1-yl)ethyl]aziridine (PubChem CID 3009817) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-[2-(aziridin-1-yl)ethyl]aziridine.

Molecular Properties

Compound Name1-[2-(aziridin-1-yl)ethyl]aziridine
PubChem CID3009817
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-[2-(aziridin-1-yl)ethyl]aziridine
SMILESC1CN1CCN1CC1
InChIInChI=1S/C6H12N2/c1-2-7(1)5-6-8-3-4-8/h1-6H2
InChIKeyYIQQNAISVQHIOJ-UHFFFAOYSA-N
XLogP-0.38
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(aziridin-1-yl)ethyl]aziridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-[2-(azetidin-1-yl)ethyl]azetidine
CID 130845040
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
1-(2-pyrrolidin-1-ylethyl)-4-sulfanylpiperazine
CID 139514313
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aziridin-1-yl)ethyl]aziridine?
The IUPAC name of 1-[2-(aziridin-1-yl)ethyl]aziridine (CID 3009817) is 1-[2-(aziridin-1-yl)ethyl]aziridine.
What is the SMILES notation for 1-[2-(aziridin-1-yl)ethyl]aziridine?
The canonical SMILES for 1-[2-(aziridin-1-yl)ethyl]aziridine is C1CN1CCN1CC1.
What is the InChIKey of 1-[2-(aziridin-1-yl)ethyl]aziridine?
The InChIKey is YIQQNAISVQHIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-7(1)5-6-8-3-4-8/h1-6H2.
What are the key properties of 1-[2-(aziridin-1-yl)ethyl]aziridine?
1-[2-(aziridin-1-yl)ethyl]aziridine has a molecular weight of 112.18 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aziridin-1-yl)ethyl]aziridine is sourced from PubChem (CID 3009817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).