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

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Related Compounds

Rimantadine
CID 5071
Rimantadine Hydrochloride
CID 15165
3-(Adamantan-1-yl)propan-1-amine hydrochloride
CID 35997
(1R)-1-(adamantan-1-yl)ethan-1-amine
CID 7048786
(alphaS)-alpha-Methyltricyclo[3.3.1.13,7]decane-1-methanamine
CID 7048784
Tricyclo(3.3.1.13,7)dec-1-ylmethylamine
CID 86625
2-(3,5-Dimethyl-1-adamantyl)ethanamine
CID 10242135
Adapromine
CID 547499
Adamantane, 1-(2-aminopropyl)-, hydrochloride
CID 38374
2-(Adamantan-1-yl)ethan-1-amine hydrochloride
CID 2771138
3-(Adamantan-1-yl)propan-1-amine
CID 35998
1-C-Ethylaminoadamantane
CID 64245

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).