(4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine

C25H44FNO — CID 167113110

IUPAC(4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine
SMILESC=C/C(CCCF)=C(\C=C(\C)CCCN(C)CC(CC(C)C)C(=C)CC)OC
InChIInChI=1S/C25H44FNO/c1-9-22(6)24(17-20(3)4)19-27(7)16-12-13-21(5)18-25(28-8)23(10-2)14-11-15-26/h10,18,20,24H,2,6,9,11-17,19H2,1,3-5,7-8H3/b21-18-,25-23-
InChIKeyFDPYVNUHXAKURW-VKRNAMELSA-N
MW393.63 g/mol
LogP7.11
Rot. Bonds16

About (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine

(4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine (PubChem CID 167113110) has the molecular formula C25H44FNO and a molecular weight of 393.63 g/mol. Its IUPAC name is (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine
PubChem CID167113110
Molecular FormulaC25H44FNO
Molecular Weight393.63 g/mol
Exact Mass393.34
IUPAC Name(4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine
SMILESC=C/C(CCCF)=C(\C=C(\C)CCCN(C)CC(CC(C)C)C(=C)CC)OC
InChIInChI=1S/C25H44FNO/c1-9-22(6)24(17-20(3)4)19-27(7)16-12-13-21(5)18-25(28-8)23(10-2)14-11-15-26/h10,18,20,24H,2,6,9,11-17,19H2,1,3-5,7-8H3/b21-18-,25-23-
InChIKeyFDPYVNUHXAKURW-VKRNAMELSA-N
XLogP7.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.63
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-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 (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine?
The IUPAC name of (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine (CID 167113110) is (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine?
The canonical SMILES for (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine is C=C/C(CCCF)=C(\C=C(\C)CCCN(C)CC(CC(C)C)C(=C)CC)OC.
What is the InChIKey of (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine?
The InChIKey is FDPYVNUHXAKURW-VKRNAMELSA-N. The full InChI is InChI=1S/C25H44FNO/c1-9-22(6)24(17-20(3)4)19-27(7)16-12-13-21(5)18-25(28-8)23(10-2)14-11-15-26/h10,18,20,24H,2,6,9,11-17,19H2,1,3-5,7-8H3/b21-18-,25-23-.
What are the key properties of (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine?
(4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine has a molecular weight of 393.63 g/mol, XLogP of 7.11, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7-ethenyl-10-fluoro-6-methoxy-N,4-dimethyl-N-[3-methylidene-2-(2-methylpropyl)pentyl]deca-4,6-dien-1-amine is sourced from PubChem (CID 167113110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).