[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine

C9H17N — CID 98469517

IUPAC[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine
SMILESNCC1C[C@@H]2CC[C@@H](C1)C2
InChIInChI=1S/C9H17N/c10-6-9-4-7-1-2-8(3-7)5-9/h7-9H,1-6,10H2/t7-,8-/m1/s1
InChIKeyAOKVKPWLZTUIAE-HTQZYQBOSA-N
MW139.24 g/mol
LogP1.77
Rot. Bonds1

About [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine

[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine (PubChem CID 98469517) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine.

Molecular Properties

Compound Name[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine
PubChem CID98469517
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine
SMILESNCC1C[C@@H]2CC[C@@H](C1)C2
InChIInChI=1S/C9H17N/c10-6-9-4-7-1-2-8(3-7)5-9/h7-9H,1-6,10H2/t7-,8-/m1/s1
InChIKeyAOKVKPWLZTUIAE-HTQZYQBOSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine?
The IUPAC name of [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine (CID 98469517) is [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine.
What is the SMILES notation for [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine?
The canonical SMILES for [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine is NCC1C[C@@H]2CC[C@@H](C1)C2.
What is the InChIKey of [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine?
The InChIKey is AOKVKPWLZTUIAE-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17N/c10-6-9-4-7-1-2-8(3-7)5-9/h7-9H,1-6,10H2/t7-,8-/m1/s1.
What are the key properties of [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine?
[(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-3-bicyclo[3.2.1]octanyl]methanamine is sourced from PubChem (CID 98469517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).