(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene

C14H23FN2 — CID 129274149

IUPAC(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene
SMILESCCCN1CC/C=C\C=C(C)/C(F)=C/NCC1
InChIInChI=1S/C14H23FN2/c1-3-9-17-10-6-4-5-7-13(2)14(15)12-16-8-11-17/h4-5,7,12,16H,3,6,8-11H2,1-2H3/b5-4-,13-7-,14-12-
InChIKeyFTMASXAMDRRIJG-WAKXFGFRSA-N
MW238.35 g/mol
LogP3.01
Rot. Bonds2

About (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene

(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene (PubChem CID 129274149) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene.

Molecular Properties

Compound Name(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene
PubChem CID129274149
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene
SMILESCCCN1CC/C=C\C=C(C)/C(F)=C/NCC1
InChIInChI=1S/C14H23FN2/c1-3-9-17-10-6-4-5-7-13(2)14(15)12-16-8-11-17/h4-5,7,12,16H,3,6,8-11H2,1-2H3/b5-4-,13-7-,14-12-
InChIKeyFTMASXAMDRRIJG-WAKXFGFRSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene 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 (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene?
The IUPAC name of (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene (CID 129274149) is (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene.
What is the SMILES notation for (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene?
The canonical SMILES for (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene is CCCN1CC/C=C\C=C(C)/C(F)=C/NCC1.
What is the InChIKey of (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene?
The InChIKey is FTMASXAMDRRIJG-WAKXFGFRSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-9-17-10-6-4-5-7-13(2)14(15)12-16-8-11-17/h4-5,7,12,16H,3,6,8-11H2,1-2H3/b5-4-,13-7-,14-12-.
What are the key properties of (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene?
(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene has a molecular weight of 238.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene is sourced from PubChem (CID 129274149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).