3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine

C16H26F3N3 — CID 98622752

IUPAC3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCCCCCCCCCCNc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C16H26F3N3/c1-2-3-4-5-6-7-8-9-10-21-14-11-13(16(17,18)19)12-22-15(14)20/h11-12,21H,2-10H2,1H3,(H2,20,22)
InChIKeyDBJRYNWWKUQHJW-UHFFFAOYSA-N
MW317.40 g/mol
LogP5.24
Rot. Bonds10

About 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine

3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 98622752) has the molecular formula C16H26F3N3 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID98622752
Molecular FormulaC16H26F3N3
Molecular Weight317.40 g/mol
Exact Mass317.21
IUPAC Name3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCCCCCCCCCCNc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C16H26F3N3/c1-2-3-4-5-6-7-8-9-10-21-14-11-13(16(17,18)19)12-22-15(14)20/h11-12,21H,2-10H2,1H3,(H2,20,22)
InChIKeyDBJRYNWWKUQHJW-UHFFFAOYSA-N
XLogP5.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.40
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(4-pyrrolidin-1-ylbutyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818192
3-N-tert-butyl-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818128
3-butyl-5-(trifluoromethyl)pyridin-2-amine
CID 150650764
N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818176
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28818162
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840

Frequently Asked Questions

What is the IUPAC name of 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine (CID 98622752) is 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine is CCCCCCCCCCNc1cc(C(F)(F)F)cnc1N.
What is the InChIKey of 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is DBJRYNWWKUQHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3/c1-2-3-4-5-6-7-8-9-10-21-14-11-13(16(17,18)19)12-22-15(14)20/h11-12,21H,2-10H2,1H3,(H2,20,22).
What are the key properties of 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine?
3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 317.40 g/mol, XLogP of 5.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 98622752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).