N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine

C14H17F3N4 — CID 133398196

IUPACN-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1nccn1CCCN(C)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H17F3N4/c1-11-18-6-9-21(11)8-3-7-20(2)13-10-12(4-5-19-13)14(15,16)17/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyVWQNYSYMXOEATE-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine

N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 133398196) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID133398196
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC NameN-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1nccn1CCCN(C)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H17F3N4/c1-11-18-6-9-21(11)8-3-7-20(2)13-10-12(4-5-19-13)14(15,16)17/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyVWQNYSYMXOEATE-UHFFFAOYSA-N
XLogP3.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromopentyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 107205276
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
N'-hydroxy-3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 77126126
N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133398208
N-[2-(2-methylimidazol-1-yl)ethyl]-4-(trifluoromethyl)aniline
CID 61492963
5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine
CID 133398152
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 66328057
N,2-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-6-nitroaniline
CID 133398109
N,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]quinoxalin-2-amine
CID 133398160
N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 56714212
N-methyl-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 133358533
1-(3,3-difluorobutyl)-2-methylimidazole
CID 126793824

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine (CID 133398196) is N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1nccn1CCCN(C)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VWQNYSYMXOEATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-11-18-6-9-21(11)8-3-7-20(2)13-10-12(4-5-19-13)14(15,16)17/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 298.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133398196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).