1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine

C9H18N2 — CID 89398991

IUPAC1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine
SMILESCNCC1CC2CC[C@@H](C1)N2
InChIInChI=1S/C9H18N2/c1-10-6-7-4-8-2-3-9(5-7)11-8/h7-11H,2-6H2,1H3/t7?,8-,9?/m0/s1
InChIKeyGFNHXUPKLOGENT-MGURRDGZSA-N
MW154.26 g/mol
LogP0.74
Rot. Bonds2

About 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine

1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine (PubChem CID 89398991) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine
PubChem CID89398991
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine
SMILESCNCC1CC2CC[C@@H](C1)N2
InChIInChI=1S/C9H18N2/c1-10-6-7-4-8-2-3-9(5-7)11-8/h7-11H,2-6H2,1H3/t7?,8-,9?/m0/s1
InChIKeyGFNHXUPKLOGENT-MGURRDGZSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine (CID 89398991) is 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine is CNCC1CC2CC[C@@H](C1)N2.
What is the InChIKey of 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine?
The InChIKey is GFNHXUPKLOGENT-MGURRDGZSA-N. The full InChI is InChI=1S/C9H18N2/c1-10-6-7-4-8-2-3-9(5-7)11-8/h7-11H,2-6H2,1H3/t7?,8-,9?/m0/s1.
What are the key properties of 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine?
1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 89398991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).