(E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine

C11H17F3N2 — CID 162554106

IUPAC(E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine
SMILESC=N/C=C(\C=C(/C)C(F)(F)F)CN(C)CC
InChIInChI=1S/C11H17F3N2/c1-5-16(4)8-10(7-15-3)6-9(2)11(12,13)14/h6-7H,3,5,8H2,1-2,4H3/b9-6+,10-7+
InChIKeyNCXFEWIVWBRDHD-KZZDLZNXSA-N
MW234.26 g/mol
LogP3.03
Rot. Bonds5

About (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine

(E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine (PubChem CID 162554106) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine.

Molecular Properties

Compound Name(E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine
PubChem CID162554106
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name(E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine
SMILESC=N/C=C(\C=C(/C)C(F)(F)F)CN(C)CC
InChIInChI=1S/C11H17F3N2/c1-5-16(4)8-10(7-15-3)6-9(2)11(12,13)14/h6-7H,3,5,8H2,1-2,4H3/b9-6+,10-7+
InChIKeyNCXFEWIVWBRDHD-KZZDLZNXSA-N
XLogP3.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-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 (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine?
The IUPAC name of (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine (CID 162554106) is (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine.
What is the SMILES notation for (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine?
The canonical SMILES for (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine is C=N/C=C(\C=C(/C)C(F)(F)F)CN(C)CC.
What is the InChIKey of (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine?
The InChIKey is NCXFEWIVWBRDHD-KZZDLZNXSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-5-16(4)8-10(7-15-3)6-9(2)11(12,13)14/h6-7H,3,5,8H2,1-2,4H3/b9-6+,10-7+.
What are the key properties of (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine?
(E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine has a molecular weight of 234.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-N-ethyl-5,5,5-trifluoro-N,4-dimethyl-2-[(methylideneamino)methylidene]pent-3-en-1-amine is sourced from PubChem (CID 162554106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).