3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine

C11H16F3N3 — CID 113326794

IUPAC3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCCCCC(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-8-6-9(15)7-17-10(8)16-5-3-2-4-11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeySNXNVCNYDUVHAW-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.12
Rot. Bonds5

About 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine

3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine (PubChem CID 113326794) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine
PubChem CID113326794
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NCCCCC(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-8-6-9(15)7-17-10(8)16-5-3-2-4-11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeySNXNVCNYDUVHAW-UHFFFAOYSA-N
XLogP3.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(5-amino-3-methyl-2-pyridinyl)amino]butyl]-2,2,2-trifluoroacetamide
CID 82331534
5-amino-2-(5,5,5-trifluoropentylamino)pyridine-3-carbonitrile
CID 113326752
3-methyl-2-N-propylpyridine-2,5-diamine
CID 62478048
5-[(5-amino-3-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106119806
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106333992
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
4-methyl-2-(5,5,5-trifluoropentylamino)pyridine-3-carbothioamide
CID 115519906
3-methyl-2-N-(3-methylpentan-3-yl)pyridine-2,5-diamine
CID 106328101
2-N-(5,5,5-trifluoropentyl)pyridine-2,4-diamine
CID 115515530
2-N-(5,5,5-trifluoropentyl)pyrazine-2,5-diamine
CID 115523020
5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine
CID 82956348
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine (CID 113326794) is 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine is Cc1cc(N)cnc1NCCCCC(F)(F)F.
What is the InChIKey of 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine?
The InChIKey is SNXNVCNYDUVHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-8-6-9(15)7-17-10(8)16-5-3-2-4-11(12,13)14/h6-7H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine?
3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine has a molecular weight of 247.26 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine is sourced from PubChem (CID 113326794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).