2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane

C13H24N4 — CID 170265945

IUPAC2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CN1CC2CC(C1)N2C
InChIInChI=1S/C13H24N4/c1-14-5-13-3-10(14)8-17(13)9-16-6-11-4-12(7-16)15(11)2/h10-13H,3-9H2,1-2H3
InChIKeyLMOVNVPRHZHOCH-UHFFFAOYSA-N
MW236.36 g/mol
LogP-0.28
Rot. Bonds2

About 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 170265945) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID170265945
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CN1CC2CC(C1)N2C
InChIInChI=1S/C13H24N4/c1-14-5-13-3-10(14)8-17(13)9-16-6-11-4-12(7-16)15(11)2/h10-13H,3-9H2,1-2H3
InChIKeyLMOVNVPRHZHOCH-UHFFFAOYSA-N
XLogP-0.28
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 170265945) is 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane is CN1CC2CC1CN2CN1CC2CC(C1)N2C.
What is the InChIKey of 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is LMOVNVPRHZHOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-14-5-13-3-10(14)8-17(13)9-16-6-11-4-12(7-16)15(11)2/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 236.36 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 170265945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).