N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine

C13H20F3N3 — CID 81246573

IUPACN-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESCC(C)CNCc1cnccc1N(C)CC(F)(F)F
InChIInChI=1S/C13H20F3N3/c1-10(2)6-18-8-11-7-17-5-4-12(11)19(3)9-13(14,15)16/h4-5,7,10,18H,6,8-9H2,1-3H3
InChIKeyBKULZNAGRDQSMD-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.83
Rot. Bonds6

About N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine

N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine (PubChem CID 81246573) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
PubChem CID81246573
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESCC(C)CNCc1cnccc1N(C)CC(F)(F)F
InChIInChI=1S/C13H20F3N3/c1-10(2)6-18-8-11-7-17-5-4-12(11)19(3)9-13(14,15)16/h4-5,7,10,18H,6,8-9H2,1-3H3
InChIKeyBKULZNAGRDQSMD-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246500
N-methyl-3-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-4-amine
CID 81247060
N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 81249699
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 104778120
3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine
CID 81248000
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
CID 105073871
2-methyl-N-[[3-(2,2,3,3-tetrafluoropropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075000
2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 63058991
N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240
4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850364
N-methyl-N-(2-propan-2-yloxyethyl)-3-(propylaminomethyl)pyridin-4-amine
CID 81247408

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The IUPAC name of N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine (CID 81246573) is N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The canonical SMILES for N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine is CC(C)CNCc1cnccc1N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The InChIKey is BKULZNAGRDQSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-10(2)6-18-8-11-7-17-5-4-12(11)19(3)9-13(14,15)16/h4-5,7,10,18H,6,8-9H2,1-3H3.
What are the key properties of N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine has a molecular weight of 275.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine is sourced from PubChem (CID 81246573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).