4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine

C14H21F3N2 — CID 174178660

IUPAC4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCCC(CC)c1cc(N)nc(C)c1C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-6-7-10(5-2)11-8-12(18)19-9(3)13(11)14(15,16)17/h8,10H,4-7H2,1-3H3,(H2,18,19)
InChIKeyYPIVQOOAFIOWGL-UHFFFAOYSA-N
MW274.33 g/mol
LogP4.67
Rot. Bonds5

About 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine

4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 174178660) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID174178660
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCCCC(CC)c1cc(N)nc(C)c1C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-6-7-10(5-2)11-8-12(18)19-9(3)13(11)14(15,16)17/h8,10H,4-7H2,1-3H3,(H2,18,19)
InChIKeyYPIVQOOAFIOWGL-UHFFFAOYSA-N
XLogP4.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 174178660) is 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine is CCCCC(CC)c1cc(N)nc(C)c1C(F)(F)F.
What is the InChIKey of 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YPIVQOOAFIOWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-6-7-10(5-2)11-8-12(18)19-9(3)13(11)14(15,16)17/h8,10H,4-7H2,1-3H3,(H2,18,19).
What are the key properties of 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine?
4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-3-yl-6-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 174178660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).