(E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide

C14H24FN3 — CID 139494587

IUPAC(E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide
SMILESC=CCN(C)C(=N\C)/C(/C=C(\C)C(C)(C)F)=N/C
InChIInChI=1S/C14H24FN3/c1-8-9-18(7)13(17-6)12(16-5)10-11(2)14(3,4)15/h8,10H,1,9H2,2-7H3/b11-10+,16-12+,17-13-
InChIKeyHTDANRHGOQCENI-OKMULXFHSA-N
MW253.36 g/mol
LogP2.90
Rot. Bonds5

About (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide

(E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide (PubChem CID 139494587) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide.

Molecular Properties

Compound Name(E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide
PubChem CID139494587
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Name(E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide
SMILESC=CCN(C)C(=N\C)/C(/C=C(\C)C(C)(C)F)=N/C
InChIInChI=1S/C14H24FN3/c1-8-9-18(7)13(17-6)12(16-5)10-11(2)14(3,4)15/h8,10H,1,9H2,2-7H3/b11-10+,16-12+,17-13-
InChIKeyHTDANRHGOQCENI-OKMULXFHSA-N
XLogP2.90
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide?
The IUPAC name of (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide (CID 139494587) is (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide.
What is the SMILES notation for (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide?
The canonical SMILES for (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide is C=CCN(C)C(=N\C)/C(/C=C(\C)C(C)(C)F)=N/C.
What is the InChIKey of (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide?
The InChIKey is HTDANRHGOQCENI-OKMULXFHSA-N. The full InChI is InChI=1S/C14H24FN3/c1-8-9-18(7)13(17-6)12(16-5)10-11(2)14(3,4)15/h8,10H,1,9H2,2-7H3/b11-10+,16-12+,17-13-.
What are the key properties of (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide?
(E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide has a molecular weight of 253.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-N,N',4,5-tetramethyl-2-methylimino-N-prop-2-enylhex-3-enimidamide is sourced from PubChem (CID 139494587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).