N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide

C14H23FN2 — CID 155728926

IUPACN'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide
SMILESC/C=C(F)\C=C(C)/C(=C/CC)C(C)/N=C(\C)N
InChIInChI=1S/C14H23FN2/c1-6-8-14(11(4)17-12(5)16)10(3)9-13(15)7-2/h7-9,11H,6H2,1-5H3,(H2,16,17)/b10-9-,13-7+,14-8-
InChIKeyDJMAXQOQVKTFBY-MUGIRVQJSA-N
MW238.35 g/mol
LogP3.91
Rot. Bonds5

About N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide

N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide (PubChem CID 155728926) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide
PubChem CID155728926
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide
SMILESC/C=C(F)\C=C(C)/C(=C/CC)C(C)/N=C(\C)N
InChIInChI=1S/C14H23FN2/c1-6-8-14(11(4)17-12(5)16)10(3)9-13(15)7-2/h7-9,11H,6H2,1-5H3,(H2,16,17)/b10-9-,13-7+,14-8-
InChIKeyDJMAXQOQVKTFBY-MUGIRVQJSA-N
XLogP3.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide (CID 155728926) is N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide is C/C=C(F)\C=C(C)/C(=C/CC)C(C)/N=C(\C)N.
What is the InChIKey of N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide?
The InChIKey is DJMAXQOQVKTFBY-MUGIRVQJSA-N. The full InChI is InChI=1S/C14H23FN2/c1-6-8-14(11(4)17-12(5)16)10(3)9-13(15)7-2/h7-9,11H,6H2,1-5H3,(H2,16,17)/b10-9-,13-7+,14-8-.
What are the key properties of N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide?
N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide has a molecular weight of 238.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,4Z,6E)-6-fluoro-4-methyl-3-propylideneocta-4,6-dien-2-yl]ethanimidamide is sourced from PubChem (CID 155728926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).