N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine

C19H25F3N2 — CID 155921253

IUPACN-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(CNc1ccc(C(F)(F)F)cn1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25F3N2/c1-11(9-23-17-3-2-16(10-24-17)19(20,21)22)18-14-5-12-4-13(7-14)8-15(18)6-12/h2-3,10-15,18H,4-9H2,1H3,(H,23,24)
InChIKeyBPVLDWIKJGVBSC-UHFFFAOYSA-N
MW338.42 g/mol
LogP5.22
Rot. Bonds4

About N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 155921253) has the molecular formula C19H25F3N2 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID155921253
Molecular FormulaC19H25F3N2
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(CNc1ccc(C(F)(F)F)cn1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H25F3N2/c1-11(9-23-17-3-2-16(10-24-17)19(20,21)22)18-14-5-12-4-13(7-14)8-15(18)6-12/h2-3,10-15,18H,4-9H2,1H3,(H,23,24)
InChIKeyBPVLDWIKJGVBSC-UHFFFAOYSA-N
XLogP5.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-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 N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine (CID 155921253) is N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine is CC(CNc1ccc(C(F)(F)F)cn1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BPVLDWIKJGVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2/c1-11(9-23-17-3-2-16(10-24-17)19(20,21)22)18-14-5-12-4-13(7-14)8-15(18)6-12/h2-3,10-15,18H,4-9H2,1H3,(H,23,24).
What are the key properties of N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 338.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-adamantyl)propyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 155921253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).