4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine

C16H28FN3 — CID 105384781

IUPAC4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
SMILESCCCN(c1nccc(CNC(C)(C)C)c1F)C(C)C
InChIInChI=1S/C16H28FN3/c1-7-10-20(12(2)3)15-14(17)13(8-9-18-15)11-19-16(4,5)6/h8-9,12,19H,7,10-11H2,1-6H3
InChIKeyRDBRTLYGKNJRIC-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.73
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine

4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine (PubChem CID 105384781) has the molecular formula C16H28FN3 and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
PubChem CID105384781
Molecular FormulaC16H28FN3
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC Name4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
SMILESCCCN(c1nccc(CNC(C)(C)C)c1F)C(C)C
InChIInChI=1S/C16H28FN3/c1-7-10-20(12(2)3)15-14(17)13(8-9-18-15)11-19-16(4,5)6/h8-9,12,19H,7,10-11H2,1-6H3
InChIKeyRDBRTLYGKNJRIC-UHFFFAOYSA-N
XLogP3.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(tert-butylamino)methyl]-N-ethyl-3-fluoro-N-propylpyridin-2-amine
CID 105384745
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253
N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
CID 105389718
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-propan-2-ylpyridin-2-amine
CID 105389642
4-(aminomethyl)-3-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 107055104
3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile
CID 105385441
5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline
CID 63550583
4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 105386398
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine (CID 105384781) is 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine is CCCN(c1nccc(CNC(C)(C)C)c1F)C(C)C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine?
The InChIKey is RDBRTLYGKNJRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3/c1-7-10-20(12(2)3)15-14(17)13(8-9-18-15)11-19-16(4,5)6/h8-9,12,19H,7,10-11H2,1-6H3.
What are the key properties of 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine?
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine has a molecular weight of 281.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine is sourced from PubChem (CID 105384781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).