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

C16H26FN3 — CID 105386398

IUPAC4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
SMILESCC1CC1CN(C)c1nccc(CNC(C)(C)C)c1F
InChIInChI=1S/C16H26FN3/c1-11-8-13(11)10-20(5)15-14(17)12(6-7-18-15)9-19-16(2,3)4/h6-7,11,13,19H,8-10H2,1-5H3
InChIKeyABMUCQPSJCIHNU-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.20
Rot. Bonds5

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

4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine (PubChem CID 105386398) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
PubChem CID105386398
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
SMILESCC1CC1CN(C)c1nccc(CNC(C)(C)C)c1F
InChIInChI=1S/C16H26FN3/c1-11-8-13(11)10-20(5)15-14(17)12(6-7-18-15)9-19-16(2,3)4/h6-7,11,13,19H,8-10H2,1-5H3
InChIKeyABMUCQPSJCIHNU-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-cyclopropylamino]propanenitrile
CID 105385441
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389902
4-[(tert-butylamino)methyl]-N-ethyl-3-fluoro-N-propylpyridin-2-amine
CID 105384745
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
CID 105384781
3-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 63878354
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 105389860
N-[[2-(3,4-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105387593
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105417520
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047
4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 105383657

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine (CID 105386398) is 4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine is CC1CC1CN(C)c1nccc(CNC(C)(C)C)c1F.
What is the InChIKey of 4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
The InChIKey is ABMUCQPSJCIHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-11-8-13(11)10-20(5)15-14(17)12(6-7-18-15)9-19-16(2,3)4/h6-7,11,13,19H,8-10H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine?
4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine has a molecular weight of 279.40 g/mol, XLogP of 3.20, 5 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-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine is sourced from PubChem (CID 105386398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).