(Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine

C19H29FN2 — CID 143655754

IUPAC(Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine
SMILESCCCC(CC)C(=C(/N)C(C)C)/C(=N/C)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2/c1-6-8-14(7-2)17(18(21)13(3)4)19(22-5)15-9-11-16(20)12-10-15/h9-14H,6-8,21H2,1-5H3/b18-17-,22-19+
InChIKeyMHMJWZRISBFUIL-DPNNMIQPSA-N
MW304.45 g/mol
LogP4.94
Rot. Bonds7

About (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine

(Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine (PubChem CID 143655754) has the molecular formula C19H29FN2 and a molecular weight of 304.45 g/mol. Its IUPAC name is (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine.

Molecular Properties

Compound Name(Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine
PubChem CID143655754
Molecular FormulaC19H29FN2
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Name(Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine
SMILESCCCC(CC)C(=C(/N)C(C)C)/C(=N/C)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2/c1-6-8-14(7-2)17(18(21)13(3)4)19(22-5)15-9-11-16(20)12-10-15/h9-14H,6-8,21H2,1-5H3/b18-17-,22-19+
InChIKeyMHMJWZRISBFUIL-DPNNMIQPSA-N
XLogP4.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-methylethanimine
CID 88225013
1-(4-Fluorophenyl)ethylideneazanium
CID 21732119
N-butyl-1-(4-fluorophenyl)ethan-1-imine
CID 164888796
1-(4-fluorophenyl)-N-propylethanimine
CID 176433693
1-(4-Fluorophenyl)ethanimine
CID 16069693
4-(3-Fluorophenyl)-2,3,5,6-tetramethyl-3,4-dihydropyridine
CID 56638033
1-(2,4-difluorophenyl)-N-methylprop-2-en-1-imine
CID 58321903
3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine
CID 67232271
5-(4-fluoro-3-methylphenyl)-2H-pyrrol-2-amine
CID 67579418
6-Tert-butyl-2-(4-fluorophenyl)-3,4-dihydropyridine
CID 68152356
5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
CID 87918226
1-(2-Fluorophenyl)ethanimine
CID 88876350

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine?
The IUPAC name of (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine (CID 143655754) is (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine.
What is the SMILES notation for (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine?
The canonical SMILES for (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine is CCCC(CC)C(=C(/N)C(C)C)/C(=N/C)c1ccc(F)cc1.
What is the InChIKey of (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine?
The InChIKey is MHMJWZRISBFUIL-DPNNMIQPSA-N. The full InChI is InChI=1S/C19H29FN2/c1-6-8-14(7-2)17(18(21)13(3)4)19(22-5)15-9-11-16(20)12-10-15/h9-14H,6-8,21H2,1-5H3/b18-17-,22-19+.
What are the key properties of (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine?
(Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine has a molecular weight of 304.45 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethyl-4-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-2-methyloct-3-en-3-amine is sourced from PubChem (CID 143655754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).