(1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine

C10H14FN — CID 146400096

IUPAC(1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine
SMILESC=C/C(F)=C\C/C(C)=C\C=C/N
InChIInChI=1S/C10H14FN/c1-3-10(11)7-6-9(2)5-4-8-12/h3-5,7-8H,1,6,12H2,2H3/b8-4-,9-5-,10-7+
InChIKeySGTTVBSGXAHJOM-CKYCDVANSA-N
MW167.23 g/mol
LogP2.83
Rot. Bonds4

About (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine

(1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine (PubChem CID 146400096) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine
PubChem CID146400096
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine
SMILESC=C/C(F)=C\C/C(C)=C\C=C/N
InChIInChI=1S/C10H14FN/c1-3-10(11)7-6-9(2)5-4-8-12/h3-5,7-8H,1,6,12H2,2H3/b8-4-,9-5-,10-7+
InChIKeySGTTVBSGXAHJOM-CKYCDVANSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine?
The IUPAC name of (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine (CID 146400096) is (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine.
What is the SMILES notation for (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine?
The canonical SMILES for (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine is C=C/C(F)=C\C/C(C)=C\C=C/N.
What is the InChIKey of (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine?
The InChIKey is SGTTVBSGXAHJOM-CKYCDVANSA-N. The full InChI is InChI=1S/C10H14FN/c1-3-10(11)7-6-9(2)5-4-8-12/h3-5,7-8H,1,6,12H2,2H3/b8-4-,9-5-,10-7+.
What are the key properties of (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine?
(1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6E)-7-fluoro-4-methylnona-1,3,6,8-tetraen-1-amine is sourced from PubChem (CID 146400096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).