N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide

C13H21FN2 — CID 166838186

IUPACN-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide
SMILESC=C(F)/C=C\C(N/C=N/C)=C(/C)CC(C)C
InChIInChI=1S/C13H21FN2/c1-10(2)8-11(3)13(16-9-15-5)7-6-12(4)14/h6-7,9-10H,4,8H2,1-3,5H3,(H,15,16)/b7-6-,13-11-
InChIKeyBLWIREOYBBSMRV-FICPNTFISA-N
MW224.32 g/mol
LogP3.59
Rot. Bonds6

About N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide

N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide (PubChem CID 166838186) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide
PubChem CID166838186
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide
SMILESC=C(F)/C=C\C(N/C=N/C)=C(/C)CC(C)C
InChIInChI=1S/C13H21FN2/c1-10(2)8-11(3)13(16-9-15-5)7-6-12(4)14/h6-7,9-10H,4,8H2,1-3,5H3,(H,15,16)/b7-6-,13-11-
InChIKeyBLWIREOYBBSMRV-FICPNTFISA-N
XLogP3.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.59
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,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide (CID 166838186) is N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide is C=C(F)/C=C\C(N/C=N/C)=C(/C)CC(C)C.
What is the InChIKey of N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide?
The InChIKey is BLWIREOYBBSMRV-FICPNTFISA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(2)8-11(3)13(16-9-15-5)7-6-12(4)14/h6-7,9-10H,4,8H2,1-3,5H3,(H,15,16)/b7-6-,13-11-.
What are the key properties of N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide?
N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide has a molecular weight of 224.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-2-fluoro-6,8-dimethylnona-1,3,5-trien-5-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 166838186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).