3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine

C14H22F3N3 — CID 81248000

IUPAC3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine
SMILESCN(CCC(F)(F)F)c1ccncc1CNC(C)(C)C
InChIInChI=1S/C14H22F3N3/c1-13(2,3)19-10-11-9-18-7-5-12(11)20(4)8-6-14(15,16)17/h5,7,9,19H,6,8,10H2,1-4H3
InChIKeyWUIICFSVTKFDJT-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.36
Rot. Bonds5

About 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine

3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine (PubChem CID 81248000) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine
PubChem CID81248000
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine
SMILESCN(CCC(F)(F)F)c1ccncc1CNC(C)(C)C
InChIInChI=1S/C14H22F3N3/c1-13(2,3)19-10-11-9-18-7-5-12(11)20(4)8-6-14(15,16)17/h5,7,9,19H,6,8,10H2,1-4H3
InChIKeyWUIICFSVTKFDJT-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 114851978
N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 105073949
3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 81246169
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
CID 81249277
N-butan-2-yl-N-butyl-3-[(tert-butylamino)methyl]pyridin-4-amine
CID 81253404
3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide
CID 114288619
N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246573
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500
3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine
CID 82754061
1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 81250486
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
4-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 105072928

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine (CID 81248000) is 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine is CN(CCC(F)(F)F)c1ccncc1CNC(C)(C)C.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine?
The InChIKey is WUIICFSVTKFDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-13(2,3)19-10-11-9-18-7-5-12(11)20(4)8-6-14(15,16)17/h5,7,9,19H,6,8,10H2,1-4H3.
What are the key properties of 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine?
3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine is sourced from PubChem (CID 81248000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).