(4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine

C19H25F3N2 — CID 143280443

IUPAC(4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine
SMILESC=C(C)/C(C)=C\C(=C/C)NC1=C(NCC(F)(F)F)/C(=C\CC)C1=C
InChIInChI=1S/C19H25F3N2/c1-7-9-16-14(6)17(18(16)23-11-19(20,21)22)24-15(8-2)10-13(5)12(3)4/h8-10,23-24H,3,6-7,11H2,1-2,4-5H3/b13-10-,15-8+,16-9-
InChIKeyZONILBFGUQQDIZ-BZBMODLISA-N
MW338.42 g/mol
LogP5.27
Rot. Bonds7

About (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine

(4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine (PubChem CID 143280443) has the molecular formula C19H25F3N2 and a molecular weight of 338.42 g/mol. Its IUPAC name is (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine.

Molecular Properties

Compound Name(4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine
PubChem CID143280443
Molecular FormulaC19H25F3N2
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name(4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine
SMILESC=C(C)/C(C)=C\C(=C/C)NC1=C(NCC(F)(F)F)/C(=C\CC)C1=C
InChIInChI=1S/C19H25F3N2/c1-7-9-16-14(6)17(18(16)23-11-19(20,21)22)24-15(8-2)10-13(5)12(3)4/h8-10,23-24H,3,6-7,11H2,1-2,4-5H3/b13-10-,15-8+,16-9-
InChIKeyZONILBFGUQQDIZ-BZBMODLISA-N
XLogP5.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.42
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine?
The IUPAC name of (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine (CID 143280443) is (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine.
What is the SMILES notation for (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine?
The canonical SMILES for (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine is C=C(C)/C(C)=C\C(=C/C)NC1=C(NCC(F)(F)F)/C(=C\CC)C1=C.
What is the InChIKey of (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine?
The InChIKey is ZONILBFGUQQDIZ-BZBMODLISA-N. The full InChI is InChI=1S/C19H25F3N2/c1-7-9-16-14(6)17(18(16)23-11-19(20,21)22)24-15(8-2)10-13(5)12(3)4/h8-10,23-24H,3,6-7,11H2,1-2,4-5H3/b13-10-,15-8+,16-9-.
What are the key properties of (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine?
(4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine has a molecular weight of 338.42 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-N-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-3-yl]-3-methylidene-4-propylidene-1-N-(2,2,2-trifluoroethyl)cyclobutene-1,2-diamine is sourced from PubChem (CID 143280443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).