3,5-diphenyladamantan-1-amine

C22H25N — CID 10266989

IUPAC3,5-diphenyladamantan-1-amine
SMILESNC12CC3CC(c4ccccc4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H25N/c23-22-13-17-11-20(15-22,18-7-3-1-4-8-18)14-21(12-17,16-22)19-9-5-2-6-10-19/h1-10,17H,11-16,23H2
InChIKeyWPXLJHZRYJANCQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.56
Rot. Bonds2

About 3,5-diphenyladamantan-1-amine

3,5-diphenyladamantan-1-amine (PubChem CID 10266989) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 3,5-diphenyladamantan-1-amine.

Molecular Properties

Compound Name3,5-diphenyladamantan-1-amine
PubChem CID10266989
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name3,5-diphenyladamantan-1-amine
SMILESNC12CC3CC(c4ccccc4)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H25N/c23-22-13-17-11-20(15-22,18-7-3-1-4-8-18)14-21(12-17,16-22)19-9-5-2-6-10-19/h1-10,17H,11-16,23H2
InChIKeyWPXLJHZRYJANCQ-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-diphenyladamantan-1-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 3,5-diphenyladamantan-1-amine?
The IUPAC name of 3,5-diphenyladamantan-1-amine (CID 10266989) is 3,5-diphenyladamantan-1-amine.
What is the SMILES notation for 3,5-diphenyladamantan-1-amine?
The canonical SMILES for 3,5-diphenyladamantan-1-amine is NC12CC3CC(c4ccccc4)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3,5-diphenyladamantan-1-amine?
The InChIKey is WPXLJHZRYJANCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c23-22-13-17-11-20(15-22,18-7-3-1-4-8-18)14-21(12-17,16-22)19-9-5-2-6-10-19/h1-10,17H,11-16,23H2.
What are the key properties of 3,5-diphenyladamantan-1-amine?
3,5-diphenyladamantan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyladamantan-1-amine is sourced from PubChem (CID 10266989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).