(4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine

C13H20F3N — CID 138527422

IUPAC(4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
SMILESC=C(C)/C(=C\C=C(\NC)C(C)CC)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-6-10(4)12(17-5)8-7-11(9(2)3)13(14,15)16/h7-8,10,17H,2,6H2,1,3-5H3/b11-7+,12-8+
InChIKeyQCSXMLBRCAWNCM-MKICQXMISA-N
MW247.30 g/mol
LogP4.20
Rot. Bonds5

About (4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine

(4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine (PubChem CID 138527422) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is (4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine.

Molecular Properties

Compound Name(4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
PubChem CID138527422
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name(4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
SMILESC=C(C)/C(=C\C=C(\NC)C(C)CC)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-6-10(4)12(17-5)8-7-11(9(2)3)13(14,15)16/h7-8,10,17H,2,6H2,1,3-5H3/b11-7+,12-8+
InChIKeyQCSXMLBRCAWNCM-MKICQXMISA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.20
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)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine?
The IUPAC name of (4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine (CID 138527422) is (4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine.
What is the SMILES notation for (4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine?
The canonical SMILES for (4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine is C=C(C)/C(=C\C=C(\NC)C(C)CC)C(F)(F)F.
What is the InChIKey of (4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine?
The InChIKey is QCSXMLBRCAWNCM-MKICQXMISA-N. The full InChI is InChI=1S/C13H20F3N/c1-6-10(4)12(17-5)8-7-11(9(2)3)13(14,15)16/h7-8,10,17H,2,6H2,1,3-5H3/b11-7+,12-8+.
What are the key properties of (4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine?
(4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine has a molecular weight of 247.30 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine is sourced from PubChem (CID 138527422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).