3-hexyl-5-phenyladamantan-1-amine

C22H33N — CID 10380773

IUPAC3-hexyl-5-phenyladamantan-1-amine
SMILESCCCCCCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H33N/c1-2-3-4-8-11-20-12-18-13-21(15-20,17-22(23,14-18)16-20)19-9-6-5-7-10-19/h5-7,9-10,18H,2-4,8,11-17,23H2,1H3
InChIKeyODVDRMCIFBNGSW-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.58
Rot. Bonds6

About 3-hexyl-5-phenyladamantan-1-amine

3-hexyl-5-phenyladamantan-1-amine (PubChem CID 10380773) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is 3-hexyl-5-phenyladamantan-1-amine.

Molecular Properties

Compound Name3-hexyl-5-phenyladamantan-1-amine
PubChem CID10380773
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC Name3-hexyl-5-phenyladamantan-1-amine
SMILESCCCCCCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H33N/c1-2-3-4-8-11-20-12-18-13-21(15-20,17-22(23,14-18)16-20)19-9-6-5-7-10-19/h5-7,9-10,18H,2-4,8,11-17,23H2,1H3
InChIKeyODVDRMCIFBNGSW-UHFFFAOYSA-N
XLogP5.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-5-phenyladamantan-1-amine?
The IUPAC name of 3-hexyl-5-phenyladamantan-1-amine (CID 10380773) is 3-hexyl-5-phenyladamantan-1-amine.
What is the SMILES notation for 3-hexyl-5-phenyladamantan-1-amine?
The canonical SMILES for 3-hexyl-5-phenyladamantan-1-amine is CCCCCCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-hexyl-5-phenyladamantan-1-amine?
The InChIKey is ODVDRMCIFBNGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N/c1-2-3-4-8-11-20-12-18-13-21(15-20,17-22(23,14-18)16-20)19-9-6-5-7-10-19/h5-7,9-10,18H,2-4,8,11-17,23H2,1H3.
What are the key properties of 3-hexyl-5-phenyladamantan-1-amine?
3-hexyl-5-phenyladamantan-1-amine has a molecular weight of 311.51 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-phenyladamantan-1-amine is sourced from PubChem (CID 10380773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).