(1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane

C6H12N2 — CID 130849467

IUPAC(1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESC[C@@]12CN[C@@H](CN1)C2
InChIInChI=1S/C6H12N2/c1-6-2-5(3-8-6)7-4-6/h5,7-8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyFMYVFSXWWJKLDS-PHDIDXHHSA-N
MW112.18 g/mol
LogP-0.29
Rot. Bonds

About (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 130849467) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID130849467
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESC[C@@]12CN[C@@H](CN1)C2
InChIInChI=1S/C6H12N2/c1-6-2-5(3-8-6)7-4-6/h5,7-8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeyFMYVFSXWWJKLDS-PHDIDXHHSA-N
XLogP-0.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 130849467) is (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane is C[C@@]12CN[C@@H](CN1)C2.
What is the InChIKey of (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is FMYVFSXWWJKLDS-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12N2/c1-6-2-5(3-8-6)7-4-6/h5,7-8H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 112.18 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 130849467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).