(4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine

C12H19F2N — CID 146245226

IUPAC(4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine
SMILESC=C(C)/C(=C\C=C(\N)C(C)CC)C(F)F
InChIInChI=1S/C12H19F2N/c1-5-9(4)11(15)7-6-10(8(2)3)12(13)14/h6-7,9,12H,2,5,15H2,1,3-4H3/b10-6+,11-7+
InChIKeyGBPMKGXDZQEFAU-JMQWPVDRSA-N
MW215.29 g/mol
LogP3.64
Rot. Bonds5

About (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine

(4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine (PubChem CID 146245226) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine.

Molecular Properties

Compound Name(4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine
PubChem CID146245226
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine
SMILESC=C(C)/C(=C\C=C(\N)C(C)CC)C(F)F
InChIInChI=1S/C12H19F2N/c1-5-9(4)11(15)7-6-10(8(2)3)12(13)14/h6-7,9,12H,2,5,15H2,1,3-4H3/b10-6+,11-7+
InChIKeyGBPMKGXDZQEFAU-JMQWPVDRSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.64
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 (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine?
The IUPAC name of (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine (CID 146245226) is (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine.
What is the SMILES notation for (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine?
The canonical SMILES for (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine is C=C(C)/C(=C\C=C(\N)C(C)CC)C(F)F.
What is the InChIKey of (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine?
The InChIKey is GBPMKGXDZQEFAU-JMQWPVDRSA-N. The full InChI is InChI=1S/C12H19F2N/c1-5-9(4)11(15)7-6-10(8(2)3)12(13)14/h6-7,9,12H,2,5,15H2,1,3-4H3/b10-6+,11-7+.
What are the key properties of (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine?
(4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine has a molecular weight of 215.29 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-7-(difluoromethyl)-3,8-dimethylnona-4,6,8-trien-4-amine is sourced from PubChem (CID 146245226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).