N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine

C14H19F3N2 — CID 105182656

IUPACN-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2/c1-4-18-12(7-5-10(2)3)13-8-6-11(9-19-13)14(15,16)17/h6,8-9,12,18H,2,4-5,7H2,1,3H3
InChIKeyYRKRVYUSSWFNJF-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.11
Rot. Bonds6

About N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine

N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine (PubChem CID 105182656) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
PubChem CID105182656
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2/c1-4-18-12(7-5-10(2)3)13-8-6-11(9-19-13)14(15,16)17/h6,8-9,12,18H,2,4-5,7H2,1,3H3
InChIKeyYRKRVYUSSWFNJF-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
CID 105127410
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
N-ethyl-2-(furan-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177738
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
N-propyl-1-[5-(trifluoromethyl)-2-pyridinyl]hex-4-yn-1-amine
CID 105181551
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292
N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105157245
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-one
CID 105129813
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 105039596
1-[5-(trifluoromethyl)-2-pyridinyl]nonylhydrazine
CID 105294404
N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105150068
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-amine
CID 114475641

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine (CID 105182656) is N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine is C=C(C)CCC(NCC)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine?
The InChIKey is YRKRVYUSSWFNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-4-18-12(7-5-10(2)3)13-8-6-11(9-19-13)14(15,16)17/h6,8-9,12,18H,2,4-5,7H2,1,3H3.
What are the key properties of N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine?
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine has a molecular weight of 272.31 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine is sourced from PubChem (CID 105182656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).