N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine

C11H13F3N2 — CID 115628581

IUPACN-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESC/C=C/CCNc1ncccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2/c1-2-3-4-7-15-10-9(11(12,13)14)6-5-8-16-10/h2-3,5-6,8H,4,7H2,1H3,(H,15,16)/b3-2+
InChIKeyZCQGPEQLKVISEB-NSCUHMNNSA-N
MW230.23 g/mol
LogP3.48
Rot. Bonds4

About N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine

N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 115628581) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID115628581
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC NameN-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESC/C=C/CCNc1ncccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2/c1-2-3-4-7-15-10-9(11(12,13)14)6-5-8-16-10/h2-3,5-6,8H,4,7H2,1H3,(H,15,16)/b3-2+
InChIKeyZCQGPEQLKVISEB-NSCUHMNNSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 75409343
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856
N-(2-methyl-2-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63541640
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63536770
N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 55242565

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine (CID 115628581) is N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine is C/C=C/CCNc1ncccc1C(F)(F)F.
What is the InChIKey of N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZCQGPEQLKVISEB-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-2-3-4-7-15-10-9(11(12,13)14)6-5-8-16-10/h2-3,5-6,8H,4,7H2,1H3,(H,15,16)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 230.23 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115628581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).