3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane

C48H83N5 — CID 163862793

IUPAC3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane
SMILESCC12C3C4C5C3C1N5C42.CC12CCC(CC1)CC2.CC1CC2CCC1NC2.CC1CC2CCN1CC2.CC1CN2CCC1C2.CC1CN2CCC1CC2
InChIInChI=1S/C9H16.C8H9N.3C8H15N.C7H13N/c1-9-5-2-8(3-6-9)4-7-9;1-8-4-2-5-3(4)7(8)9(5)6(2)8;1-7-6-9-4-2-8(7)3-5-9;1-7-6-8-2-4-9(7)5-3-8;1-6-4-7-2-3-8(6)9-5-7;1-6-4-8-3-2-7(6)5-8/h8H,2-7H2,1H3;2-7H,1H3;2*7-8H,2-6H2,1H3;6-9H,2-5H2,1H3;6-7H,2-5H2,1H3
InChIKeyPEAKBRFGVLEEFC-UHFFFAOYSA-N
MW730.23 g/mol
LogP8.48
Rot. Bonds

About 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane

3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane (PubChem CID 163862793) has the molecular formula C48H83N5 and a molecular weight of 730.23 g/mol. Its IUPAC name is 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane
PubChem CID163862793
Molecular FormulaC48H83N5
Molecular Weight730.23 g/mol
Exact Mass729.66
IUPAC Name3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane
SMILESCC12C3C4C5C3C1N5C42.CC12CCC(CC1)CC2.CC1CC2CCC1NC2.CC1CC2CCN1CC2.CC1CN2CCC1C2.CC1CN2CCC1CC2
InChIInChI=1S/C9H16.C8H9N.3C8H15N.C7H13N/c1-9-5-2-8(3-6-9)4-7-9;1-8-4-2-5-3(4)7(8)9(5)6(2)8;1-7-6-9-4-2-8(7)3-5-9;1-7-6-8-2-4-9(7)5-3-8;1-6-4-7-2-3-8(6)9-5-7;1-6-4-8-3-2-7(6)5-8/h8H,2-7H2,1H3;2-7H,1H3;2*7-8H,2-6H2,1H3;6-9H,2-5H2,1H3;6-7H,2-5H2,1H3
InChIKeyPEAKBRFGVLEEFC-UHFFFAOYSA-N
XLogP8.48
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.23
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane?
The IUPAC name of 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane (CID 163862793) is 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane.
What is the SMILES notation for 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane?
The canonical SMILES for 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane is CC12C3C4C5C3C1N5C42.CC12CCC(CC1)CC2.CC1CC2CCC1NC2.CC1CC2CCN1CC2.CC1CN2CCC1C2.CC1CN2CCC1CC2.
What is the InChIKey of 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane?
The InChIKey is PEAKBRFGVLEEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C8H9N.3C8H15N.C7H13N/c1-9-5-2-8(3-6-9)4-7-9;1-8-4-2-5-3(4)7(8)9(5)6(2)8;1-7-6-9-4-2-8(7)3-5-9;1-7-6-8-2-4-9(7)5-3-8;1-6-4-7-2-3-8(6)9-5-7;1-6-4-8-3-2-7(6)5-8/h8H,2-7H2,1H3;2-7H,1H3;2*7-8H,2-6H2,1H3;6-9H,2-5H2,1H3;6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane?
3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane has a molecular weight of 730.23 g/mol, XLogP of 8.48, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-azabicyclo[2.2.1]heptane;2-methyl-1-azabicyclo[2.2.2]octane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-2-azabicyclo[2.2.2]octane;3-methyl-1-azapentacyclo[4.2.0.02,5.03,8.04,7]octane;1-methylbicyclo[2.2.2]octane is sourced from PubChem (CID 163862793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).