(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane

C15H28N2 — CID 161413099

IUPAC(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane
SMILESCC12CCC(CC1)CN2.C[C@H]1N[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H15N.C7H13N/c1-8-4-2-7(3-5-8)6-9-8;1-5-6-2-3-7(4-6)8-5/h7,9H,2-6H2,1H3;5-8H,2-4H2,1H3/t;5-,6+,7-/m.1/s1
InChIKeyVVSSWNOEIQOIIF-ORVYHFPFSA-N
MW236.40 g/mol
LogP2.69
Rot. Bonds

About (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane

(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane (PubChem CID 161413099) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane
PubChem CID161413099
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane
SMILESCC12CCC(CC1)CN2.C[C@H]1N[C@@H]2CC[C@H]1C2
InChIInChI=1S/C8H15N.C7H13N/c1-8-4-2-7(3-5-8)6-9-8;1-5-6-2-3-7(4-6)8-5/h7,9H,2-6H2,1H3;5-8H,2-4H2,1H3/t;5-,6+,7-/m.1/s1
InChIKeyVVSSWNOEIQOIIF-ORVYHFPFSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane (CID 161413099) is (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane is CC12CCC(CC1)CN2.C[C@H]1N[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane?
The InChIKey is VVSSWNOEIQOIIF-ORVYHFPFSA-N. The full InChI is InChI=1S/C8H15N.C7H13N/c1-8-4-2-7(3-5-8)6-9-8;1-5-6-2-3-7(4-6)8-5/h7,9H,2-6H2,1H3;5-8H,2-4H2,1H3/t;5-,6+,7-/m.1/s1.
What are the key properties of (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane?
(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane has a molecular weight of 236.40 g/mol, XLogP of 2.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane;1-methyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 161413099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).