(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C11H22N2 — CID 26189078

IUPAC(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C11H22N2/c1-3-6-13(2)11-7-9-4-5-10(8-11)12-9/h9-12H,3-8H2,1-2H3/t9-,10+,11?
InChIKeyZREJVWJLHJZSFO-ZACCUICWSA-N
MW182.31 g/mol
LogP1.61
Rot. Bonds3

About (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 26189078) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID26189078
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(C)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C11H22N2/c1-3-6-13(2)11-7-9-4-5-10(8-11)12-9/h9-12H,3-8H2,1-2H3/t9-,10+,11?
InChIKeyZREJVWJLHJZSFO-ZACCUICWSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 26189078) is (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(C)C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZREJVWJLHJZSFO-ZACCUICWSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-6-13(2)11-7-9-4-5-10(8-11)12-9/h9-12H,3-8H2,1-2H3/t9-,10+,11?.
What are the key properties of (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 26189078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).