2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane

C13H25N3 — CID 144525170

IUPAC2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2.CN1CC2CCC1C2
InChIInChI=1S/C7H13N.C6H12N2/c1-8-5-6-2-3-7(8)4-6;1-8-4-5-2-6(8)3-7-5/h6-7H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyVSFORMOISIHWTH-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.76
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane

2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 144525170) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID144525170
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2.CN1CC2CCC1C2
InChIInChI=1S/C7H13N.C6H12N2/c1-8-5-6-2-3-7(8)4-6;1-8-4-5-2-6(8)3-7-5/h6-7H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyVSFORMOISIHWTH-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Related Compounds

(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
CID 66776606
methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 157141591
2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride
CID 131676431
2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158361324
(1R,3R)-6-methyl-6-azabicyclo[3.2.2]nonan-3-amine
CID 129230742
(1R,4R)-2-cyclohexyl-2,5-diazabicyclo[2.2.1]heptane
CID 89202936
1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine
CID 157138496
2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 130543722
3-(2,5-diazabicyclo[2.2.1]heptan-2-yl)propan-1-amine
CID 84763670
ethane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 170980461
(4S)-2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane
CID 170265964
11-methyl-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 142819225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 144525170) is 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane is CN1CC2CC1CN2.CN1CC2CCC1C2.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is VSFORMOISIHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C6H12N2/c1-8-5-6-2-3-7(8)4-6;1-8-4-5-2-6(8)3-7-5/h6-7H,2-5H2,1H3;5-7H,2-4H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 223.36 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 144525170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).