1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine

C8H18N4 — CID 3618404

IUPAC1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine
SMILESCC1(C)NN1CCN1NC1(C)C
InChIInChI=1S/C8H18N4/c1-7(2)9-11(7)5-6-12-8(3,4)10-12/h9-10H,5-6H2,1-4H3
InChIKeyBNEBLAOYRKMIAD-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.10
Rot. Bonds3

About 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine

1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine (PubChem CID 3618404) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine.

Molecular Properties

Compound Name1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine
PubChem CID3618404
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine
SMILESCC1(C)NN1CCN1NC1(C)C
InChIInChI=1S/C8H18N4/c1-7(2)9-11(7)5-6-12-8(3,4)10-12/h9-10H,5-6H2,1-4H3
InChIKeyBNEBLAOYRKMIAD-UHFFFAOYSA-N
XLogP0.10
TPSA49.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine?
The IUPAC name of 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine (CID 3618404) is 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine.
What is the SMILES notation for 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine?
The canonical SMILES for 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine is CC1(C)NN1CCN1NC1(C)C.
What is the InChIKey of 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine?
The InChIKey is BNEBLAOYRKMIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-7(2)9-11(7)5-6-12-8(3,4)10-12/h9-10H,5-6H2,1-4H3.
What are the key properties of 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine?
1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine has a molecular weight of 170.26 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethyldiaziridin-1-yl)ethyl]-3,3-dimethyldiaziridine is sourced from PubChem (CID 3618404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).