4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine

C15H26FN3S — CID 105386429

IUPAC4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
SMILESCSCC(C)CNc1nccc(CNC(C)(C)C)c1F
InChIInChI=1S/C15H26FN3S/c1-11(10-20-5)8-18-14-13(16)12(6-7-17-14)9-19-15(2,3)4/h6-7,11,19H,8-10H2,1-5H3,(H,17,18)
InChIKeyMJLVPYJIFJUNTI-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.52
Rot. Bonds7

About 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine

4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine (PubChem CID 105386429) has the molecular formula C15H26FN3S and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
PubChem CID105386429
Molecular FormulaC15H26FN3S
Molecular Weight299.46 g/mol
Exact Mass299.18
IUPAC Name4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
SMILESCSCC(C)CNc1nccc(CNC(C)(C)C)c1F
InChIInChI=1S/C15H26FN3S/c1-11(10-20-5)8-18-14-13(16)12(6-7-17-14)9-19-15(2,3)4/h6-7,11,19H,8-10H2,1-5H3,(H,17,18)
InChIKeyMJLVPYJIFJUNTI-UHFFFAOYSA-N
XLogP3.52
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine (CID 105386429) is 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine is CSCC(C)CNc1nccc(CNC(C)(C)C)c1F.
What is the InChIKey of 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine?
The InChIKey is MJLVPYJIFJUNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3S/c1-11(10-20-5)8-18-14-13(16)12(6-7-17-14)9-19-15(2,3)4/h6-7,11,19H,8-10H2,1-5H3,(H,17,18).
What are the key properties of 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine?
4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine has a molecular weight of 299.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine is sourced from PubChem (CID 105386429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).