(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

C29H54N4 — CID 158823109

IUPAC(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
SMILESCN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H15N.3C7H13N/c1-9-7-3-2-4-8(9)6-5-7;2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3/t;6-,7+;;/m.1../s1
InChIKeyIWCSJHDJIGRWGE-HTUDXMJOSA-N
MW458.78 g/mol
LogP5.08
Rot. Bonds

About (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

(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 (PubChem CID 158823109) has the molecular formula C29H54N4 and a molecular weight of 458.78 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158823109
Molecular FormulaC29H54N4
Molecular Weight458.78 g/mol
Exact Mass458.43
IUPAC Name(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
SMILESCN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H15N.3C7H13N/c1-9-7-3-2-4-8(9)6-5-7;2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3/t;6-,7+;;/m.1../s1
InChIKeyIWCSJHDJIGRWGE-HTUDXMJOSA-N
XLogP5.08
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.78
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

Bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane
CID 157105896
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-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(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 159404960
(1R,4S)-2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane
CID 160257469
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
(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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1C2CCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC1C2.CN1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (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?
The InChIKey is IWCSJHDJIGRWGE-HTUDXMJOSA-N. The full InChI is InChI=1S/C8H15N.3C7H13N/c1-9-7-3-2-4-8(9)6-5-7;2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3/t;6-,7+;;/m.1../s1.
What are the key properties of (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?
(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 has a molecular weight of 458.78 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158823109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).