1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine

C15H24F3N — CID 104992893

IUPAC1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24F3N/c16-15(17,18)2-1-13(19)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-13H,1-9,19H2
InChIKeyUTYIVWQZCTUDGZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.26
Rot. Bonds4

About 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine

1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine (PubChem CID 104992893) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine
PubChem CID104992893
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24F3N/c16-15(17,18)2-1-13(19)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-13H,1-9,19H2
InChIKeyUTYIVWQZCTUDGZ-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1-adamantyl)-5,5,5-trifluoropentan-2-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 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine (CID 104992893) is 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine is NC(CCC(F)(F)F)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine?
The InChIKey is UTYIVWQZCTUDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N/c16-15(17,18)2-1-13(19)9-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-13H,1-9,19H2.
What are the key properties of 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine?
1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine has a molecular weight of 275.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 104992893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).