(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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Related Compounds

4,4-dimethyl-2-azabicyclo[3.1.1]heptane
CID 143639105
1-(5,6-dimethylpyrimidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 175814441
2-(2,5-diazabicyclo[2.2.1]heptan-1-yl)-N,N-dimethylaniline
CID 154494960
(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 98051800
1-methyl-2-azabicyclo[2.2.1]heptane;hydroiodide
CID 173152924
4-methyl-2-azabicyclo[2.2.2]octane
CID 123620881
1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 143810022
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
(2S,7R,9R,14R)-2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 139079648
2,2-dimethyl-4-propan-2-ylpyrrolidine
CID 117269783
(2S)-2,5,5-trimethyl-1,4-diazepane
CID 172679311
2,2-diethyl-5-propan-2-ylpiperazine
CID 64884451

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).