(1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine

C9H15N — CID 55289778

IUPAC(1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine
SMILESN[C@@H]1C[C@@H]2C=CC[C@H](C1)C2
InChIInChI=1S/C9H15N/c10-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6,10H2/t7-,8+,9-/m1/s1
InChIKeyPJQNVODAJQFMAZ-HRDYMLBCSA-N
MW137.23 g/mol
LogP1.69
Rot. Bonds

About (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine

(1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine (PubChem CID 55289778) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine.

Molecular Properties

Compound Name(1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine
PubChem CID55289778
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine
SMILESN[C@@H]1C[C@@H]2C=CC[C@H](C1)C2
InChIInChI=1S/C9H15N/c10-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6,10H2/t7-,8+,9-/m1/s1
InChIKeyPJQNVODAJQFMAZ-HRDYMLBCSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine?
The IUPAC name of (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine (CID 55289778) is (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine.
What is the SMILES notation for (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine?
The canonical SMILES for (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine is N[C@@H]1C[C@@H]2C=CC[C@H](C1)C2.
What is the InChIKey of (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine?
The InChIKey is PJQNVODAJQFMAZ-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H15N/c10-9-5-7-2-1-3-8(4-7)6-9/h1-2,7-9H,3-6,10H2/t7-,8+,9-/m1/s1.
What are the key properties of (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine?
(1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine has a molecular weight of 137.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5R)-bicyclo[3.3.1]non-6-en-3-amine is sourced from PubChem (CID 55289778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).