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

C12H16F3N3 — CID 81246500

IUPAC3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESCN(CC(F)(F)F)c1ccncc1CNC1CC1
InChIInChI=1S/C12H16F3N3/c1-18(8-12(13,14)15)11-4-5-16-6-9(11)7-17-10-2-3-10/h4-6,10,17H,2-3,7-8H2,1H3
InChIKeyCYLSKMRTQPVWKD-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.33
Rot. Bonds5

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

3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine (PubChem CID 81246500) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
PubChem CID81246500
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESCN(CC(F)(F)F)c1ccncc1CNC1CC1
InChIInChI=1S/C12H16F3N3/c1-18(8-12(13,14)15)11-4-5-16-6-9(11)7-17-10-2-3-10/h4-6,10,17H,2-3,7-8H2,1H3
InChIKeyCYLSKMRTQPVWKD-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81249517
N-methyl-3-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 81246573
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81246080
3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862
3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 81250020
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(2-methylpropyl)pyridin-4-amine
CID 81246811
3-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 112665329
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 104778120
3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methylbutyl)pyridin-4-amine
CID 81247877

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine (CID 81246500) is 3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine is CN(CC(F)(F)F)c1ccncc1CNC1CC1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The InChIKey is CYLSKMRTQPVWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-18(8-12(13,14)15)11-4-5-16-6-9(11)7-17-10-2-3-10/h4-6,10,17H,2-3,7-8H2,1H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine has a molecular weight of 259.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine is sourced from PubChem (CID 81246500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).