(2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine

C13H22F2N2 — CID 130329197

IUPAC(2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine
SMILESC/C=C(\C=C/C(=C\CC)NCC(C)(F)F)NC
InChIInChI=1S/C13H22F2N2/c1-5-7-12(17-10-13(3,14)15)9-8-11(6-2)16-4/h6-9,16-17H,5,10H2,1-4H3/b9-8-,11-6+,12-7+
InChIKeyWIKPJUGNJUGJDN-WPCHRYQWSA-N
MW244.33 g/mol
LogP3.20
Rot. Bonds7

About (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine

(2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine (PubChem CID 130329197) has the molecular formula C13H22F2N2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine.

Molecular Properties

Compound Name(2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine
PubChem CID130329197
Molecular FormulaC13H22F2N2
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine
SMILESC/C=C(\C=C/C(=C\CC)NCC(C)(F)F)NC
InChIInChI=1S/C13H22F2N2/c1-5-7-12(17-10-13(3,14)15)9-8-11(6-2)16-4/h6-9,16-17H,5,10H2,1-4H3/b9-8-,11-6+,12-7+
InChIKeyWIKPJUGNJUGJDN-WPCHRYQWSA-N
XLogP3.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine 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 (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine?
The IUPAC name of (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine (CID 130329197) is (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine.
What is the SMILES notation for (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine?
The canonical SMILES for (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine is C/C=C(\C=C/C(=C\CC)NCC(C)(F)F)NC.
What is the InChIKey of (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine?
The InChIKey is WIKPJUGNJUGJDN-WPCHRYQWSA-N. The full InChI is InChI=1S/C13H22F2N2/c1-5-7-12(17-10-13(3,14)15)9-8-11(6-2)16-4/h6-9,16-17H,5,10H2,1-4H3/b9-8-,11-6+,12-7+.
What are the key properties of (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine?
(2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine has a molecular weight of 244.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine is sourced from PubChem (CID 130329197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).