6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane

C11H20N4 — CID 5301247

IUPAC6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane
SMILESC(CC1N2CCCN12)CC1N2CCCN12
InChIInChI=1S/C11H20N4/c1(4-10-12-6-2-7-13(10)12)5-11-14-8-3-9-15(11)14/h10-11H,1-9H2
InChIKeyMDCSWLAJLRIFAD-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.68
Rot. Bonds4

About 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane

6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane (PubChem CID 5301247) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane
PubChem CID5301247
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane
SMILESC(CC1N2CCCN12)CC1N2CCCN12
InChIInChI=1S/C11H20N4/c1(4-10-12-6-2-7-13(10)12)5-11-14-8-3-9-15(11)14/h10-11H,1-9H2
InChIKeyMDCSWLAJLRIFAD-UHFFFAOYSA-N
XLogP0.68
TPSA12.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.68
H-Bond Donors ≤ 50
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 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane?
The IUPAC name of 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane (CID 5301247) is 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane is C(CC1N2CCCN12)CC1N2CCCN12.
What is the InChIKey of 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane?
The InChIKey is MDCSWLAJLRIFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1(4-10-12-6-2-7-13(10)12)5-11-14-8-3-9-15(11)14/h10-11H,1-9H2.
What are the key properties of 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane?
6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane has a molecular weight of 208.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,5-diazabicyclo[3.1.0]hexan-6-yl)propyl]-1,5-diazabicyclo[3.1.0]hexane is sourced from PubChem (CID 5301247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).