2-(aziridin-2-ylmethyl)aziridine

C5H10N2 — CID 163931540

IUPAC2-(aziridin-2-ylmethyl)aziridine
SMILESC1NC1CC1CN1
InChIInChI=1S/C5H10N2/c1(4-2-6-4)5-3-7-5/h4-7H,1-3H2
InChIKeyRJBQRZHWZXKONM-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.68
Rot. Bonds2

About 2-(aziridin-2-ylmethyl)aziridine

2-(aziridin-2-ylmethyl)aziridine (PubChem CID 163931540) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-(aziridin-2-ylmethyl)aziridine.

Molecular Properties

Compound Name2-(aziridin-2-ylmethyl)aziridine
PubChem CID163931540
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-(aziridin-2-ylmethyl)aziridine
SMILESC1NC1CC1CN1
InChIInChI=1S/C5H10N2/c1(4-2-6-4)5-3-7-5/h4-7H,1-3H2
InChIKeyRJBQRZHWZXKONM-UHFFFAOYSA-N
XLogP-0.68
TPSA43.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aziridin-2-ylmethanol
CID 11286436
2-(cyclohex-3-en-1-ylmethyl)aziridine
CID 89298763
2-propylaziridine
CID 544792
2-[(4-propyloxetan-2-yl)methyl]aziridine
CID 163538018
1-(aziridin-2-yl)-N,N-dimethylmethanamine
CID 54502555
2-prop-2-enylaziridine
CID 90730816
1-(aziridin-2-ylmethyl)piperidine
CID 21193250
2-pentylaziridine
CID 19101061
4-[(2S)-aziridin-2-yl]butan-1-ol
CID 99770578
2-(1,3-dioxolan-2-ylmethyl)piperazine
CID 66610084
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
lithium;aziridin-2-ylmethanesulfonic acid;hydride
CID 174535880

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-2-ylmethyl)aziridine?
The IUPAC name of 2-(aziridin-2-ylmethyl)aziridine (CID 163931540) is 2-(aziridin-2-ylmethyl)aziridine.
What is the SMILES notation for 2-(aziridin-2-ylmethyl)aziridine?
The canonical SMILES for 2-(aziridin-2-ylmethyl)aziridine is C1NC1CC1CN1.
What is the InChIKey of 2-(aziridin-2-ylmethyl)aziridine?
The InChIKey is RJBQRZHWZXKONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1(4-2-6-4)5-3-7-5/h4-7H,1-3H2.
What are the key properties of 2-(aziridin-2-ylmethyl)aziridine?
2-(aziridin-2-ylmethyl)aziridine has a molecular weight of 98.15 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-2-ylmethyl)aziridine is sourced from PubChem (CID 163931540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).