(E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine

C9H15F3N2 — CID 143984817

IUPAC(E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine
SMILESC=NC(N/C=C(\C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-6(2)7(3)5-14-8(13-4)9(10,11)12/h5-6,8,14H,4H2,1-3H3/b7-5+
InChIKeyRZPOXTZLXRSDPS-FNORWQNLSA-N
MW208.23 g/mol
LogP2.72
Rot. Bonds4

About (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine

(E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine (PubChem CID 143984817) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine
PubChem CID143984817
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name(E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine
SMILESC=NC(N/C=C(\C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-6(2)7(3)5-14-8(13-4)9(10,11)12/h5-6,8,14H,4H2,1-3H3/b7-5+
InChIKeyRZPOXTZLXRSDPS-FNORWQNLSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine?
The IUPAC name of (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine (CID 143984817) is (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine.
What is the SMILES notation for (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine?
The canonical SMILES for (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine is C=NC(N/C=C(\C)C(C)C)C(F)(F)F.
What is the InChIKey of (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine?
The InChIKey is RZPOXTZLXRSDPS-FNORWQNLSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-6(2)7(3)5-14-8(13-4)9(10,11)12/h5-6,8,14H,4H2,1-3H3/b7-5+.
What are the key properties of (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine?
(E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine has a molecular weight of 208.23 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dimethyl-N-[2,2,2-trifluoro-1-(methylideneamino)ethyl]but-1-en-1-amine is sourced from PubChem (CID 143984817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).