4-propyl-1,4-diazabicyclo[3.1.0]hexane

C7H14N2 — CID 89356558

IUPAC4-propyl-1,4-diazabicyclo[3.1.0]hexane
SMILESCCCN1CCN2CC12
InChIInChI=1S/C7H14N2/c1-2-3-8-4-5-9-6-7(8)9/h7H,2-6H2,1H3
InChIKeyOFRIHNNIMHMIMB-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.35
Rot. Bonds2

About 4-propyl-1,4-diazabicyclo[3.1.0]hexane

4-propyl-1,4-diazabicyclo[3.1.0]hexane (PubChem CID 89356558) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-propyl-1,4-diazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name4-propyl-1,4-diazabicyclo[3.1.0]hexane
PubChem CID89356558
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4-propyl-1,4-diazabicyclo[3.1.0]hexane
SMILESCCCN1CCN2CC12
InChIInChI=1S/C7H14N2/c1-2-3-8-4-5-9-6-7(8)9/h7H,2-6H2,1H3
InChIKeyOFRIHNNIMHMIMB-UHFFFAOYSA-N
XLogP0.35
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.35
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 4-propyl-1,4-diazabicyclo[3.1.0]hexane?
The IUPAC name of 4-propyl-1,4-diazabicyclo[3.1.0]hexane (CID 89356558) is 4-propyl-1,4-diazabicyclo[3.1.0]hexane.
What is the SMILES notation for 4-propyl-1,4-diazabicyclo[3.1.0]hexane?
The canonical SMILES for 4-propyl-1,4-diazabicyclo[3.1.0]hexane is CCCN1CCN2CC12.
What is the InChIKey of 4-propyl-1,4-diazabicyclo[3.1.0]hexane?
The InChIKey is OFRIHNNIMHMIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-8-4-5-9-6-7(8)9/h7H,2-6H2,1H3.
What are the key properties of 4-propyl-1,4-diazabicyclo[3.1.0]hexane?
4-propyl-1,4-diazabicyclo[3.1.0]hexane has a molecular weight of 126.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,4-diazabicyclo[3.1.0]hexane is sourced from PubChem (CID 89356558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).