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

C34H72N4 — CID 158689282

IUPACmethane;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
SMILESC.C.C.C.CN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1CC2
InChIInChI=1S/2C8H15N.2C7H13N.4CH4/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;1-8-6-2-3-7(8)5-4-6;;;;/h2*7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3;4*1H4
InChIKeyIGDFSHFSHOOPNP-UHFFFAOYSA-N
MW536.98 g/mol
LogP8.01
Rot. Bonds

About 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

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 (PubChem CID 158689282) has the molecular formula C34H72N4 and a molecular weight of 536.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID158689282
Molecular FormulaC34H72N4
Molecular Weight536.98 g/mol
Exact Mass536.58
IUPAC Namemethane;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
SMILESC.C.C.C.CN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1CC2
InChIInChI=1S/2C8H15N.2C7H13N.4CH4/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;1-8-6-2-3-7(8)5-4-6;;;;/h2*7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3;4*1H4
InChIKeyIGDFSHFSHOOPNP-UHFFFAOYSA-N
XLogP8.01
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.98
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 158823109
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
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;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane;1-methylazepane;1-methylpiperidine;1-methylpyrrolidine
CID 160915566
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
CID 161373365
(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 168395222

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.CN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1CC2CCC1CC2.
What is the InChIKey of 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?
The InChIKey is IGDFSHFSHOOPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15N.2C7H13N.4CH4/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;1-8-6-2-3-7(8)5-4-6;;;;/h2*7-8H,2-6H2,1H3;2*6-7H,2-5H2,1H3;4*1H4.
What are the key properties of 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?
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 has a molecular weight of 536.98 g/mol, XLogP of 8.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158689282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).