2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine

C41H82N6 — CID 160915566

IUPAC2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
SMILESCN1C2CCCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1CC2.CN1CCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/2C8H15N.C7H13N.C7H15N.C6H13N.C5H11N/c1-9-6-7-2-4-8(9)5-3-7;1-9-7-3-2-4-8(9)6-5-7;1-8-5-6-2-3-7(8)4-6;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2-7H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeySRIXNHNWZWQJIW-UHFFFAOYSA-N
MW659.15 g/mol
LogP7.53
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine

2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine (PubChem CID 160915566) has the molecular formula C41H82N6 and a molecular weight of 659.15 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
PubChem CID160915566
Molecular FormulaC41H82N6
Molecular Weight659.15 g/mol
Exact Mass658.66
IUPAC Name2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
SMILESCN1C2CCCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1CC2.CN1CCCC1.CN1CCCCC1.CN1CCCCCC1
InChIInChI=1S/2C8H15N.C7H13N.C7H15N.C6H13N.C5H11N/c1-9-6-7-2-4-8(9)5-3-7;1-9-7-3-2-4-8(9)6-5-7;1-8-5-6-2-3-7(8)4-6;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2-7H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeySRIXNHNWZWQJIW-UHFFFAOYSA-N
XLogP7.53
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.15
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine with MolForge

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Related Compounds

2-Tert-butyl-2-azabicyclo[2.2.1]heptane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 158335310
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 158689282
2-Methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;2-methyl-2-azabicyclo[3.2.1]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 159478716
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;6-tert-butyl-6-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane
CID 159501346
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-3-azabicyclo[3.1.1]heptane;6-tert-butyl-6-azabicyclo[3.1.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;methane
CID 159531655
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160355261
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
CID 160395778
2-Methyl-2-azabicyclo[2.2.1]heptane;3-methyl-3-azabicyclo[3.1.1]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;3-methyl-3-azabicyclo[3.2.1]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160641459
8-Tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 161213305
2-Tert-butyl-2-azabicyclo[2.2.1]heptane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;3-propan-2-yl-3-azabicyclo[3.2.1]octane
CID 161518985
2-Methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpiperidine;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-ylpiperidine
CID 164985879
1-Azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1-methylpiperidine;1-methylpyrrolidine;propane
CID 167580657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine (CID 160915566) is 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine is CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1CC2.CN1CCCC1.CN1CCCCC1.CN1CCCCCC1.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine?
The InChIKey is SRIXNHNWZWQJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N.C7H13N.C7H15N.C6H13N.C5H11N/c1-9-6-7-2-4-8(9)5-3-7;1-9-7-3-2-4-8(9)6-5-7;1-8-5-6-2-3-7(8)4-6;1-8-6-4-2-3-5-7-8;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2*7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;2-7H2,1H3;2-6H2,1H3;2-5H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine?
2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine has a molecular weight of 659.15 g/mol, XLogP of 7.53, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine is sourced from PubChem (CID 160915566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).