3-methyl-5-phenyladamantan-1-amine

C17H23N — CID 11776481

IUPAC3-methyl-5-phenyladamantan-1-amine
SMILESCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C17H23N/c1-15-7-13-8-16(10-15,12-17(18,9-13)11-15)14-5-3-2-4-6-14/h2-6,13H,7-12,18H2,1H3
InChIKeyNMLWLANWDKUOBD-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.63
Rot. Bonds1

About 3-methyl-5-phenyladamantan-1-amine

3-methyl-5-phenyladamantan-1-amine (PubChem CID 11776481) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-methyl-5-phenyladamantan-1-amine.

Molecular Properties

Compound Name3-methyl-5-phenyladamantan-1-amine
PubChem CID11776481
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name3-methyl-5-phenyladamantan-1-amine
SMILESCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C17H23N/c1-15-7-13-8-16(10-15,12-17(18,9-13)11-15)14-5-3-2-4-6-14/h2-6,13H,7-12,18H2,1H3
InChIKeyNMLWLANWDKUOBD-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyladamantan-1-amine?
The IUPAC name of 3-methyl-5-phenyladamantan-1-amine (CID 11776481) is 3-methyl-5-phenyladamantan-1-amine.
What is the SMILES notation for 3-methyl-5-phenyladamantan-1-amine?
The canonical SMILES for 3-methyl-5-phenyladamantan-1-amine is CC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-methyl-5-phenyladamantan-1-amine?
The InChIKey is NMLWLANWDKUOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-15-7-13-8-16(10-15,12-17(18,9-13)11-15)14-5-3-2-4-6-14/h2-6,13H,7-12,18H2,1H3.
What are the key properties of 3-methyl-5-phenyladamantan-1-amine?
3-methyl-5-phenyladamantan-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyladamantan-1-amine is sourced from PubChem (CID 11776481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).