3-phenyladamantan-1-amine

C16H21N — CID 3010129

IUPAC3-phenyladamantan-1-amine
SMILESNC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2
InChIKeyMWXAHLMUYMJXTG-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.24
Rot. Bonds1

About 3-phenyladamantan-1-amine

3-phenyladamantan-1-amine (PubChem CID 3010129) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-phenyladamantan-1-amine.

Molecular Properties

Compound Name3-phenyladamantan-1-amine
PubChem CID3010129
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name3-phenyladamantan-1-amine
SMILESNC12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2
InChIKeyMWXAHLMUYMJXTG-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyladamantan-1-amine?
The IUPAC name of 3-phenyladamantan-1-amine (CID 3010129) is 3-phenyladamantan-1-amine.
What is the SMILES notation for 3-phenyladamantan-1-amine?
The canonical SMILES for 3-phenyladamantan-1-amine is NC12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-phenyladamantan-1-amine?
The InChIKey is MWXAHLMUYMJXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2.
What are the key properties of 3-phenyladamantan-1-amine?
3-phenyladamantan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyladamantan-1-amine is sourced from PubChem (CID 3010129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).