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

C26H50N6O — CID 159473300

IUPAC2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2.CN1CC2CC1CN2C.CN1CC2CC1CO2.CN1CC2CCC1C2
InChIInChI=1S/C7H14N2.C7H13N.C6H12N2.C6H11NO/c1-8-4-7-3-6(8)5-9(7)2;1-8-5-6-2-3-7(8)4-6;1-8-4-5-2-6(8)3-7-5;1-7-3-6-2-5(7)4-8-6/h6-7H,3-5H2,1-2H3;6-7H,2-5H2,1H3;5-7H,2-4H2,1H3;5-6H,2-4H2,1H3
InChIKeyLWBJAOYHYDHGEW-UHFFFAOYSA-N
MW462.73 g/mol
LogP0.86
Rot. Bonds

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

2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 159473300) has the molecular formula C26H50N6O and a molecular weight of 462.73 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID159473300
Molecular FormulaC26H50N6O
Molecular Weight462.73 g/mol
Exact Mass462.40
IUPAC Name2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2.CN1CC2CC1CN2C.CN1CC2CC1CO2.CN1CC2CCC1C2
InChIInChI=1S/C7H14N2.C7H13N.C6H12N2.C6H11NO/c1-8-4-7-3-6(8)5-9(7)2;1-8-5-6-2-3-7(8)4-6;1-8-4-5-2-6(8)3-7-5;1-7-3-6-2-5(7)4-8-6/h6-7H,3-5H2,1-2H3;6-7H,2-5H2,1H3;5-7H,2-4H2,1H3;5-6H,2-4H2,1H3
InChIKeyLWBJAOYHYDHGEW-UHFFFAOYSA-N
XLogP0.86
TPSA37.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.73
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-methoxypropan-1-amine;N-ethyl-2-methoxy-N-methylethanamine;2-methoxy-N,N-dimethylethanamine;3-methoxy-N,N-dimethylpropan-1-amine;3-methoxy-N,N-di(propan-2-yl)propan-1-amine;1-(2-methoxyethyl)-4-(methoxymethyl)piperidine;1-(2-methoxyethyl)-2-(methoxymethyl)pyrrolidine;1-(2-methoxyethyl)-4-methylpiperazine;4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)piperazine;1-(2-methoxyethyl)piperidine;N-(2-methoxyethyl)-N-propan-2-ylpropan-2-amine;1-(2-methoxyethyl)pyrrolidine;2-methoxy-N-methylethanamine;4-(methoxymethyl)-1-methylpiperidine;2-(methoxymethyl)-1-methylpyrrolidine;4-(methoxymethyl)piperidine;3-methoxy-N-methylpropan-1-amine;2-(methoxymethyl)pyrrolidine;3-methoxy-1-methylpyrrolidine;1-(3-methoxypropyl)-4-methylpiperazine;4-(3-methoxypropyl)morpholine;1-(3-methoxypropyl)piperazine;1-(3-methoxypropyl)piperidine;1-(3-methoxypropyl)pyrrolidine;3-methoxypyrrolidine
CID 157204754
2-Azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;2-oxa-5-azabicyclo[2.2.1]heptane
CID 158991997
2-Cyclopropyl-5-methanidyl-2-aza-5-azoniabicyclo[2.2.1]heptane;2-methanidyl-5-methyl-5-aza-2-azoniabicyclo[2.2.1]heptane;5-methanidyl-2-oxa-5-azoniabicyclo[2.2.1]heptane
CID 161032420

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 159473300) is 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane is CN1CC2CC1CN2.CN1CC2CC1CN2C.CN1CC2CC1CO2.CN1CC2CCC1C2.
What is the InChIKey of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is LWBJAOYHYDHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C7H13N.C6H12N2.C6H11NO/c1-8-4-7-3-6(8)5-9(7)2;1-8-5-6-2-3-7(8)4-6;1-8-4-5-2-6(8)3-7-5;1-7-3-6-2-5(7)4-8-6/h6-7H,3-5H2,1-2H3;6-7H,2-5H2,1H3;5-7H,2-4H2,1H3;5-6H,2-4H2,1H3.
What are the key properties of 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane?
2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 462.73 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 159473300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).