4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine

C19H29F3N2 — CID 129083846

IUPAC4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine
SMILESC=C1C(C)=CC(CC)=CN1C(CC(C)(C)NCC(F)(F)F)=C(C)C
InChIInChI=1S/C19H29F3N2/c1-8-16-9-14(4)15(5)24(11-16)17(13(2)3)10-18(6,7)23-12-19(20,21)22/h9,11,23H,5,8,10,12H2,1-4,6-7H3
InChIKeySRPIVTYTZFQNTA-UHFFFAOYSA-N
MW342.45 g/mol
LogP5.67
Rot. Bonds6

About 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine

4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine (PubChem CID 129083846) has the molecular formula C19H29F3N2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine.

Molecular Properties

Compound Name4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine
PubChem CID129083846
Molecular FormulaC19H29F3N2
Molecular Weight342.45 g/mol
Exact Mass342.23
IUPAC Name4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine
SMILESC=C1C(C)=CC(CC)=CN1C(CC(C)(C)NCC(F)(F)F)=C(C)C
InChIInChI=1S/C19H29F3N2/c1-8-16-9-14(4)15(5)24(11-16)17(13(2)3)10-18(6,7)23-12-19(20,21)22/h9,11,23H,5,8,10,12H2,1-4,6-7H3
InChIKeySRPIVTYTZFQNTA-UHFFFAOYSA-N
XLogP5.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-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

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine?
The IUPAC name of 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine (CID 129083846) is 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine.
What is the SMILES notation for 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine?
The canonical SMILES for 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine is C=C1C(C)=CC(CC)=CN1C(CC(C)(C)NCC(F)(F)F)=C(C)C.
What is the InChIKey of 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine?
The InChIKey is SRPIVTYTZFQNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N2/c1-8-16-9-14(4)15(5)24(11-16)17(13(2)3)10-18(6,7)23-12-19(20,21)22/h9,11,23H,5,8,10,12H2,1-4,6-7H3.
What are the key properties of 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine?
4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine has a molecular weight of 342.45 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine is sourced from PubChem (CID 129083846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).