(2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine

C10H16F3N3 — CID 134239276

IUPAC(2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine
SMILESC/C=C(N)\C(=C/C(=C\C)C(F)(F)F)N(C)N
InChIInChI=1S/C10H16F3N3/c1-4-7(10(11,12)13)6-9(16(3)15)8(14)5-2/h4-6H,14-15H2,1-3H3/b7-4+,8-5+,9-6+
InChIKeyKVHAHZSZUHGYJO-OTWDQPKHSA-N
MW235.25 g/mol
LogP2.05
Rot. Bonds3

About (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine

(2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine (PubChem CID 134239276) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine
PubChem CID134239276
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name(2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine
SMILESC/C=C(N)\C(=C/C(=C\C)C(F)(F)F)N(C)N
InChIInChI=1S/C10H16F3N3/c1-4-7(10(11,12)13)6-9(16(3)15)8(14)5-2/h4-6H,14-15H2,1-3H3/b7-4+,8-5+,9-6+
InChIKeyKVHAHZSZUHGYJO-OTWDQPKHSA-N
XLogP2.05
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine?
The IUPAC name of (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine (CID 134239276) is (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine is C/C=C(N)\C(=C/C(=C\C)C(F)(F)F)N(C)N.
What is the InChIKey of (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine?
The InChIKey is KVHAHZSZUHGYJO-OTWDQPKHSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-4-7(10(11,12)13)6-9(16(3)15)8(14)5-2/h4-6H,14-15H2,1-3H3/b7-4+,8-5+,9-6+.
What are the key properties of (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine?
(2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine has a molecular weight of 235.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine is sourced from PubChem (CID 134239276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).