1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine

C15H20N2 — CID 67017816

IUPAC1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine
SMILESNc1ccc(C23CC4CC(C2)C(N)(C4)C3)cc1
InChIInChI=1S/C15H20N2/c16-13-3-1-11(2-4-13)14-6-10-5-12(8-14)15(17,7-10)9-14/h1-4,10,12H,5-9,16-17H2
InChIKeyIJZVIEBWKZNZPM-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.43
Rot. Bonds1

About 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine

1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine (PubChem CID 67017816) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine.

Molecular Properties

Compound Name1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine
PubChem CID67017816
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine
SMILESNc1ccc(C23CC4CC(C2)C(N)(C4)C3)cc1
InChIInChI=1S/C15H20N2/c16-13-3-1-11(2-4-13)14-6-10-5-12(8-14)15(17,7-10)9-14/h1-4,10,12H,5-9,16-17H2
InChIKeyIJZVIEBWKZNZPM-UHFFFAOYSA-N
XLogP2.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine?
The IUPAC name of 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine (CID 67017816) is 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine.
What is the SMILES notation for 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine?
The canonical SMILES for 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine is Nc1ccc(C23CC4CC(C2)C(N)(C4)C3)cc1.
What is the InChIKey of 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine?
The InChIKey is IJZVIEBWKZNZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c16-13-3-1-11(2-4-13)14-6-10-5-12(8-14)15(17,7-10)9-14/h1-4,10,12H,5-9,16-17H2.
What are the key properties of 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine?
1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine has a molecular weight of 228.34 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)tricyclo[3.3.1.03,7]nonan-3-amine is sourced from PubChem (CID 67017816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).