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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Related Compounds

4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine
CID 105387499
4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 105384550
4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915247
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 63966599
[3-fluoro-2-(2-methylpropylamino)-4-pyridinyl]methanol
CID 105383169
N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine
CID 105387168
4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 105385700
2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide
CID 105384966
3,5-difluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 112675888
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
CID 105384781
4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one
CID 106197832
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carboxylic acid
CID 63960048

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).