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

C9H18N2 — CID 71692391

IUPAC(1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN(C)C1[C@@H]2CC[C@H]1CNC2
InChIInChI=1S/C9H18N2/c1-11(2)9-7-3-4-8(9)6-10-5-7/h7-10H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyYWBICKVWQPKKHN-JVHMLUBASA-N
MW154.26 g/mol
LogP0.55
Rot. Bonds1

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

(1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 71692391) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID71692391
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN(C)C1[C@@H]2CC[C@H]1CNC2
InChIInChI=1S/C9H18N2/c1-11(2)9-7-3-4-8(9)6-10-5-7/h7-10H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyYWBICKVWQPKKHN-JVHMLUBASA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine (CID 71692391) is (1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine is CN(C)C1[C@@H]2CC[C@H]1CNC2.
What is the InChIKey of (1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is YWBICKVWQPKKHN-JVHMLUBASA-N. The full InChI is InChI=1S/C9H18N2/c1-11(2)9-7-3-4-8(9)6-10-5-7/h7-10H,3-6H2,1-2H3/t7-,8+,9?.
What are the key properties of (1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine?
(1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 154.26 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 71692391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).