3-ethyl-1,2-dipropyldiaziridine

C9H20N2 — CID 86086113

IUPAC3-ethyl-1,2-dipropyldiaziridine
SMILESCCCN1C(CC)N1CCC
InChIInChI=1S/C9H20N2/c1-4-7-10-9(6-3)11(10)8-5-2/h9H,4-8H2,1-3H3
InChIKeyANEGQUMHAXCVKT-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.08
Rot. Bonds5

About 3-ethyl-1,2-dipropyldiaziridine

3-ethyl-1,2-dipropyldiaziridine (PubChem CID 86086113) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-ethyl-1,2-dipropyldiaziridine.

Molecular Properties

Compound Name3-ethyl-1,2-dipropyldiaziridine
PubChem CID86086113
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-ethyl-1,2-dipropyldiaziridine
SMILESCCCN1C(CC)N1CCC
InChIInChI=1S/C9H20N2/c1-4-7-10-9(6-3)11(10)8-5-2/h9H,4-8H2,1-3H3
InChIKeyANEGQUMHAXCVKT-UHFFFAOYSA-N
XLogP2.08
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-dipropyldiaziridine?
The IUPAC name of 3-ethyl-1,2-dipropyldiaziridine (CID 86086113) is 3-ethyl-1,2-dipropyldiaziridine.
What is the SMILES notation for 3-ethyl-1,2-dipropyldiaziridine?
The canonical SMILES for 3-ethyl-1,2-dipropyldiaziridine is CCCN1C(CC)N1CCC.
What is the InChIKey of 3-ethyl-1,2-dipropyldiaziridine?
The InChIKey is ANEGQUMHAXCVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-7-10-9(6-3)11(10)8-5-2/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1,2-dipropyldiaziridine?
3-ethyl-1,2-dipropyldiaziridine has a molecular weight of 156.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dipropyldiaziridine is sourced from PubChem (CID 86086113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).