(4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine

C14H22F3N — CID 146245224

IUPAC(4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine
SMILESC=C(CC)/C(=C\C=C(\NC)C(C)CC)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-6-10(3)12(14(15,16)17)8-9-13(18-5)11(4)7-2/h8-9,11,18H,3,6-7H2,1-2,4-5H3/b12-8+,13-9+
InChIKeyGJKYKKXCWYQPGB-QHKWOANTSA-N
MW261.33 g/mol
LogP4.59
Rot. Bonds6

About (4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine

(4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine (PubChem CID 146245224) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is (4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine.

Molecular Properties

Compound Name(4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine
PubChem CID146245224
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name(4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine
SMILESC=C(CC)/C(=C\C=C(\NC)C(C)CC)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-6-10(3)12(14(15,16)17)8-9-13(18-5)11(4)7-2/h8-9,11,18H,3,6-7H2,1-2,4-5H3/b12-8+,13-9+
InChIKeyGJKYKKXCWYQPGB-QHKWOANTSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.59
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-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine?
The IUPAC name of (4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine (CID 146245224) is (4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine.
What is the SMILES notation for (4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine?
The canonical SMILES for (4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine is C=C(CC)/C(=C\C=C(\NC)C(C)CC)C(F)(F)F.
What is the InChIKey of (4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine?
The InChIKey is GJKYKKXCWYQPGB-QHKWOANTSA-N. The full InChI is InChI=1S/C14H22F3N/c1-6-10(3)12(14(15,16)17)8-9-13(18-5)11(4)7-2/h8-9,11,18H,3,6-7H2,1-2,4-5H3/b12-8+,13-9+.
What are the key properties of (4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine?
(4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine has a molecular weight of 261.33 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine is sourced from PubChem (CID 146245224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).