4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine

C23H33FN2 — CID 167265060

IUPAC4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine
SMILESC=CC/N=C(\C)c1cc(C(=C)CCCN(C)CCC)c(F)cc1C(=C)C
InChIInChI=1S/C23H33FN2/c1-8-12-25-19(6)22-15-21(23(24)16-20(22)17(3)4)18(5)11-10-14-26(7)13-9-2/h8,15-16H,1,3,5,9-14H2,2,4,6-7H3/b25-19+
InChIKeyVLSVGCMRQNIWET-NCELDCMTSA-N
MW356.53 g/mol
LogP5.99
Rot. Bonds11

About 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine

4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine (PubChem CID 167265060) has the molecular formula C23H33FN2 and a molecular weight of 356.53 g/mol. Its IUPAC name is 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine
PubChem CID167265060
Molecular FormulaC23H33FN2
Molecular Weight356.53 g/mol
Exact Mass356.26
IUPAC Name4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine
SMILESC=CC/N=C(\C)c1cc(C(=C)CCCN(C)CCC)c(F)cc1C(=C)C
InChIInChI=1S/C23H33FN2/c1-8-12-25-19(6)22-15-21(23(24)16-20(22)17(3)4)18(5)11-10-14-26(7)13-9-2/h8,15-16H,1,3,5,9-14H2,2,4,6-7H3/b25-19+
InChIKeyVLSVGCMRQNIWET-NCELDCMTSA-N
XLogP5.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.53
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine (CID 167265060) is 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine is C=CC/N=C(\C)c1cc(C(=C)CCCN(C)CCC)c(F)cc1C(=C)C.
What is the InChIKey of 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine?
The InChIKey is VLSVGCMRQNIWET-NCELDCMTSA-N. The full InChI is InChI=1S/C23H33FN2/c1-8-12-25-19(6)22-15-21(23(24)16-20(22)17(3)4)18(5)11-10-14-26(7)13-9-2/h8,15-16H,1,3,5,9-14H2,2,4,6-7H3/b25-19+.
What are the key properties of 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine?
4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine has a molecular weight of 356.53 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(C-methyl-N-prop-2-enylcarbonimidoyl)-4-prop-1-en-2-ylphenyl]-N-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 167265060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).