N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine

C14H22FN — CID 123669970

IUPACN-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
SMILESC=C(N=C(C)C)C(C)=CC(F)=C(C)CCC
InChIInChI=1S/C14H22FN/c1-7-8-11(4)14(15)9-12(5)13(6)16-10(2)3/h9H,6-8H2,1-5H3
InChIKeyZCUKIDVJSOJSSL-UHFFFAOYSA-N
MW223.33 g/mol
LogP4.97
Rot. Bonds5

About N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine

N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine (PubChem CID 123669970) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine.

Molecular Properties

Compound NameN-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
PubChem CID123669970
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
SMILESC=C(N=C(C)C)C(C)=CC(F)=C(C)CCC
InChIInChI=1S/C14H22FN/c1-7-8-11(4)14(15)9-12(5)13(6)16-10(2)3/h9H,6-8H2,1-5H3
InChIKeyZCUKIDVJSOJSSL-UHFFFAOYSA-N
XLogP4.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine 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 N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine?
The IUPAC name of N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine (CID 123669970) is N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine.
What is the SMILES notation for N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine?
The canonical SMILES for N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine is C=C(N=C(C)C)C(C)=CC(F)=C(C)CCC.
What is the InChIKey of N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine?
The InChIKey is ZCUKIDVJSOJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-7-8-11(4)14(15)9-12(5)13(6)16-10(2)3/h9H,6-8H2,1-5H3.
What are the key properties of N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine?
N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine has a molecular weight of 223.33 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine is sourced from PubChem (CID 123669970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).