(3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine

C14H21FN2 — CID 167064967

IUPAC(3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine
SMILES[H]/N=C(\C=C(/N)C=C)C(=CC(C)CC)/C(F)=C\C
InChIInChI=1S/C14H21FN2/c1-5-10(4)8-12(13(15)7-3)14(17)9-11(16)6-2/h6-10,17H,2,5,16H2,1,3-4H3/b11-9-,12-8+,13-7+,17-14+
InChIKeyFOSHSILPICYFDL-YILVSLKZSA-N
MW236.33 g/mol
LogP3.88
Rot. Bonds6

About (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine

(3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine (PubChem CID 167064967) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine.

Molecular Properties

Compound Name(3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine
PubChem CID167064967
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name(3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine
SMILES[H]/N=C(\C=C(/N)C=C)C(=CC(C)CC)/C(F)=C\C
InChIInChI=1S/C14H21FN2/c1-5-10(4)8-12(13(15)7-3)14(17)9-11(16)6-2/h6-10,17H,2,5,16H2,1,3-4H3/b11-9-,12-8+,13-7+,17-14+
InChIKeyFOSHSILPICYFDL-YILVSLKZSA-N
XLogP3.88
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine?
The IUPAC name of (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine (CID 167064967) is (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine.
What is the SMILES notation for (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine?
The canonical SMILES for (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine is [H]/N=C(\C=C(/N)C=C)C(=CC(C)CC)/C(F)=C\C.
What is the InChIKey of (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine?
The InChIKey is FOSHSILPICYFDL-YILVSLKZSA-N. The full InChI is InChI=1S/C14H21FN2/c1-5-10(4)8-12(13(15)7-3)14(17)9-11(16)6-2/h6-10,17H,2,5,16H2,1,3-4H3/b11-9-,12-8+,13-7+,17-14+.
What are the key properties of (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine?
(3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine has a molecular weight of 236.33 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-6-[(E)-1-fluoroprop-1-enyl]-5-imino-8-methyldeca-1,3,6-trien-3-amine is sourced from PubChem (CID 167064967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).