N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine

C13H19F3N2 — CID 63541338

IUPACN-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCC(C)Nc1ncccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-4-5-7-10(2)18-12-11(13(14,15)16)8-6-9-17-12/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyZQJMMFGEEKFKND-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.48
Rot. Bonds6

About N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine

N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 63541338) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID63541338
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCC(C)Nc1ncccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-4-5-7-10(2)18-12-11(13(14,15)16)8-6-9-17-12/h6,8-10H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyZQJMMFGEEKFKND-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorobutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 83188558
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
1-butan-2-yl-2-[3-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 130198428
N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 104828787
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
2-(octan-2-ylamino)pyridine-3-carbothioamide
CID 63518030
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
N-(4-methylpent-1-yn-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 114202638
3-fluoro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 62732858
N-octan-2-ylpyridazin-3-amine
CID 62481019

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine (CID 63541338) is N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine is CCCCCC(C)Nc1ncccc1C(F)(F)F.
What is the InChIKey of N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZQJMMFGEEKFKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-4-5-7-10(2)18-12-11(13(14,15)16)8-6-9-17-12/h6,8-10H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine?
N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63541338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).