[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

C9H18N2 — CID 51723276

IUPAC[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCN1[C@@H]2CC[C@H]1CC(CN)C2
InChIInChI=1S/C9H18N2/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6,10H2,1H3/t7?,8-,9+
InChIKeyJDLGJYZMVRWAQA-CBLAIPOGSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds1

About [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (PubChem CID 51723276) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.

Molecular Properties

Compound Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
PubChem CID51723276
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCN1[C@@H]2CC[C@H]1CC(CN)C2
InChIInChI=1S/C9H18N2/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6,10H2,1H3/t7?,8-,9+
InChIKeyJDLGJYZMVRWAQA-CBLAIPOGSA-N
XLogP0.82
TPSA29.26 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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The IUPAC name of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (CID 51723276) is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.
What is the SMILES notation for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The canonical SMILES for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is CN1[C@@H]2CC[C@H]1CC(CN)C2.
What is the InChIKey of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The InChIKey is JDLGJYZMVRWAQA-CBLAIPOGSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-6,10H2,1H3/t7?,8-,9+.
What are the key properties of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is sourced from PubChem (CID 51723276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).