(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane

C8H15N — CID 637986

IUPAC(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@H]1CC2
InChIInChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+
InChIKeyXLRPYZSEQKXZAA-OCAPTIKFSA-N
MW125.22 g/mol
LogP1.63
Rot. Bonds

About (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane

(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 637986) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID637986
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@H]1CC2
InChIInChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+
InChIKeyXLRPYZSEQKXZAA-OCAPTIKFSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane (CID 637986) is (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CCC[C@H]1CC2.
What is the InChIKey of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is XLRPYZSEQKXZAA-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+.
What are the key properties of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 125.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 637986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).