6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane

C10H20N6 — CID 14966391

IUPAC6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane
SMILESCC1N2CN(CCN3CN4C(C)N4C3)CN12
InChIInChI=1S/C10H20N6/c1-9-13-5-11(6-14(9)13)3-4-12-7-15-10(2)16(15)8-12/h9-10H,3-8H2,1-2H3
InChIKeyRNQFUPOZAOFQPF-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.80
Rot. Bonds3

About 6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane

6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane (PubChem CID 14966391) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane
PubChem CID14966391
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane
SMILESCC1N2CN(CCN3CN4C(C)N4C3)CN12
InChIInChI=1S/C10H20N6/c1-9-13-5-11(6-14(9)13)3-4-12-7-15-10(2)16(15)8-12/h9-10H,3-8H2,1-2H3
InChIKeyRNQFUPOZAOFQPF-UHFFFAOYSA-N
XLogP-0.80
TPSA18.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane?
The IUPAC name of 6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane (CID 14966391) is 6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane?
The canonical SMILES for 6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane is CC1N2CN(CCN3CN4C(C)N4C3)CN12.
What is the InChIKey of 6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane?
The InChIKey is RNQFUPOZAOFQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-9-13-5-11(6-14(9)13)3-4-12-7-15-10(2)16(15)8-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane?
6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane has a molecular weight of 224.31 g/mol, XLogP of -0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(6-methyl-1,3,5-triazabicyclo[3.1.0]hexan-3-yl)ethyl]-1,3,5-triazabicyclo[3.1.0]hexane is sourced from PubChem (CID 14966391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).