3-phenyl-5-propyladamantan-1-amine

C19H27N — CID 10423220

IUPAC3-phenyl-5-propyladamantan-1-amine
SMILESCCCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C19H27N/c1-2-8-17-9-15-10-18(12-17,14-19(20,11-15)13-17)16-6-4-3-5-7-16/h3-7,15H,2,8-14,20H2,1H3
InChIKeyZHUNEHAFDUSIHE-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.41
Rot. Bonds3

About 3-phenyl-5-propyladamantan-1-amine

3-phenyl-5-propyladamantan-1-amine (PubChem CID 10423220) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-phenyl-5-propyladamantan-1-amine.

Molecular Properties

Compound Name3-phenyl-5-propyladamantan-1-amine
PubChem CID10423220
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name3-phenyl-5-propyladamantan-1-amine
SMILESCCCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C19H27N/c1-2-8-17-9-15-10-18(12-17,14-19(20,11-15)13-17)16-6-4-3-5-7-16/h3-7,15H,2,8-14,20H2,1H3
InChIKeyZHUNEHAFDUSIHE-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-phenyl-5-propyladamantan-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-phenyl-5-propyladamantan-1-amine?
The IUPAC name of 3-phenyl-5-propyladamantan-1-amine (CID 10423220) is 3-phenyl-5-propyladamantan-1-amine.
What is the SMILES notation for 3-phenyl-5-propyladamantan-1-amine?
The canonical SMILES for 3-phenyl-5-propyladamantan-1-amine is CCCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-phenyl-5-propyladamantan-1-amine?
The InChIKey is ZHUNEHAFDUSIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-2-8-17-9-15-10-18(12-17,14-19(20,11-15)13-17)16-6-4-3-5-7-16/h3-7,15H,2,8-14,20H2,1H3.
What are the key properties of 3-phenyl-5-propyladamantan-1-amine?
3-phenyl-5-propyladamantan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propyladamantan-1-amine is sourced from PubChem (CID 10423220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).