(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine

C9H17N — CID 138987458

IUPAC(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine
SMILESN[C@@H]1C[C@@H]2CCCCC[C@@H]21
InChIInChI=1S/C9H17N/c10-9-6-7-4-2-1-3-5-8(7)9/h7-9H,1-6,10H2/t7-,8-,9+/m0/s1
InChIKeyXRKZDWVJLZXXMB-XHNCKOQMSA-N
MW139.24 g/mol
LogP1.91
Rot. Bonds

About (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine

(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine (PubChem CID 138987458) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine.

Molecular Properties

Compound Name(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine
PubChem CID138987458
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine
SMILESN[C@@H]1C[C@@H]2CCCCC[C@@H]21
InChIInChI=1S/C9H17N/c10-9-6-7-4-2-1-3-5-8(7)9/h7-9H,1-6,10H2/t7-,8-,9+/m0/s1
InChIKeyXRKZDWVJLZXXMB-XHNCKOQMSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine?
The IUPAC name of (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine (CID 138987458) is (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine.
What is the SMILES notation for (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine?
The canonical SMILES for (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine is N[C@@H]1C[C@@H]2CCCCC[C@@H]21.
What is the InChIKey of (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine?
The InChIKey is XRKZDWVJLZXXMB-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H17N/c10-9-6-7-4-2-1-3-5-8(7)9/h7-9H,1-6,10H2/t7-,8-,9+/m0/s1.
What are the key properties of (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine?
(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine has a molecular weight of 139.24 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine is sourced from PubChem (CID 138987458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).