6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane

C11H20N2 — CID 170055588

IUPAC6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCC2(C3CN3)CC2C1
InChIInChI=1S/C11H20N2/c1-8(2)13-4-3-11(10-6-12-10)5-9(11)7-13/h8-10,12H,3-7H2,1-2H3
InChIKeyWEIZVCIZIDNVJI-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds2

About 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane

6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 170055588) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID170055588
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCC2(C3CN3)CC2C1
InChIInChI=1S/C11H20N2/c1-8(2)13-4-3-11(10-6-12-10)5-9(11)7-13/h8-10,12H,3-7H2,1-2H3
InChIKeyWEIZVCIZIDNVJI-UHFFFAOYSA-N
XLogP1.08
TPSA25.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
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 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane (CID 170055588) is 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane is CC(C)N1CCC2(C3CN3)CC2C1.
What is the InChIKey of 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is WEIZVCIZIDNVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)13-4-3-11(10-6-12-10)5-9(11)7-13/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 180.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aziridin-2-yl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 170055588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).