(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine

C10H19FN2 — CID 121336104

IUPAC(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine
SMILESCNC/C=C(F)\C=C/CCCCN
InChIInChI=1S/C10H19FN2/c1-13-9-7-10(11)6-4-2-3-5-8-12/h4,6-7,13H,2-3,5,8-9,12H2,1H3/b6-4-,10-7+
InChIKeyJCIYATFCTXQPQN-BSAFSDHNSA-N
MW186.27 g/mol
LogP1.74
Rot. Bonds7

About (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine

(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine (PubChem CID 121336104) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine.

Molecular Properties

Compound Name(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine
PubChem CID121336104
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine
SMILESCNC/C=C(F)\C=C/CCCCN
InChIInChI=1S/C10H19FN2/c1-13-9-7-10(11)6-4-2-3-5-8-12/h4,6-7,13H,2-3,5,8-9,12H2,1H3/b6-4-,10-7+
InChIKeyJCIYATFCTXQPQN-BSAFSDHNSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine?
The IUPAC name of (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine (CID 121336104) is (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine.
What is the SMILES notation for (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine?
The canonical SMILES for (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine is CNC/C=C(F)\C=C/CCCCN.
What is the InChIKey of (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine?
The InChIKey is JCIYATFCTXQPQN-BSAFSDHNSA-N. The full InChI is InChI=1S/C10H19FN2/c1-13-9-7-10(11)6-4-2-3-5-8-12/h4,6-7,13H,2-3,5,8-9,12H2,1H3/b6-4-,10-7+.
What are the key properties of (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine?
(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine has a molecular weight of 186.27 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine is sourced from PubChem (CID 121336104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).