(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine

C11H13N — CID 131028254

IUPAC(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine
SMILESNc1cccc2c1[C@H]1CC[C@@H]2C1
InChIInChI=1S/C11H13N/c12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h1-3,7-8H,4-6,12H2/t7-,8+/m1/s1
InChIKeyBKQHSLRUFYATMH-SFYZADRCSA-N
MW159.23 g/mol
LogP2.63
Rot. Bonds

About (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine

(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine (PubChem CID 131028254) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine.

Molecular Properties

Compound Name(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine
PubChem CID131028254
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine
SMILESNc1cccc2c1[C@H]1CC[C@@H]2C1
InChIInChI=1S/C11H13N/c12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h1-3,7-8H,4-6,12H2/t7-,8+/m1/s1
InChIKeyBKQHSLRUFYATMH-SFYZADRCSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine?
The IUPAC name of (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine (CID 131028254) is (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine.
What is the SMILES notation for (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine?
The canonical SMILES for (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine is Nc1cccc2c1[C@H]1CC[C@@H]2C1.
What is the InChIKey of (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine?
The InChIKey is BKQHSLRUFYATMH-SFYZADRCSA-N. The full InChI is InChI=1S/C11H13N/c12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h1-3,7-8H,4-6,12H2/t7-,8+/m1/s1.
What are the key properties of (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine?
(1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine has a molecular weight of 159.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine is sourced from PubChem (CID 131028254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).