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

C10H20N2 — CID 39871869

IUPAC(1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCCCN1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C10H20N2/c1-2-5-12-6-8-3-4-9(7-12)10(8)11/h8-10H,2-7,11H2,1H3/t8-,9+,10?
InChIKeyGFPNXWVSBSEMOI-ULKQDVFKSA-N
MW168.28 g/mol
LogP1.07
Rot. Bonds2

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

(1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 39871869) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID39871869
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCCCN1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C10H20N2/c1-2-5-12-6-8-3-4-9(7-12)10(8)11/h8-10H,2-7,11H2,1H3/t8-,9+,10?
InChIKeyGFPNXWVSBSEMOI-ULKQDVFKSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine (CID 39871869) is (1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine is CCCN1C[C@H]2CC[C@@H](C1)C2N.
What is the InChIKey of (1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is GFPNXWVSBSEMOI-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-5-12-6-8-3-4-9(7-12)10(8)11/h8-10H,2-7,11H2,1H3/t8-,9+,10?.
What are the key properties of (1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine?
(1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 168.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-propyl-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 39871869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).