(1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane

C15H26N2 — CID 69053054

IUPAC(1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@@]1(C1CCC3CCN1C3)CC2
InChIInChI=1S/C15H26N2/c1-16-13-3-2-8-15(16,9-6-13)14-5-4-12-7-10-17(14)11-12/h12-14H,2-11H2,1H3/t12?,13-,14?,15+/m1/s1
InChIKeyMPZUVESMEOHAPJ-JYVUQVBGSA-N
MW234.39 g/mol
LogP2.49
Rot. Bonds1

About (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane

(1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 69053054) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID69053054
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@@]1(C1CCC3CCN1C3)CC2
InChIInChI=1S/C15H26N2/c1-16-13-3-2-8-15(16,9-6-13)14-5-4-12-7-10-17(14)11-12/h12-14H,2-11H2,1H3/t12?,13-,14?,15+/m1/s1
InChIKeyMPZUVESMEOHAPJ-JYVUQVBGSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane (CID 69053054) is (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CCC[C@@]1(C1CCC3CCN1C3)CC2.
What is the InChIKey of (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is MPZUVESMEOHAPJ-JYVUQVBGSA-N. The full InChI is InChI=1S/C15H26N2/c1-16-13-3-2-8-15(16,9-6-13)14-5-4-12-7-10-17(14)11-12/h12-14H,2-11H2,1H3/t12?,13-,14?,15+/m1/s1.
What are the key properties of (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 234.39 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-(1-azabicyclo[3.2.1]octan-2-yl)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 69053054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).