(5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine

C10H15F3N2 — CID 143596338

IUPAC(5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine
SMILESC=CC(C/C=C(\C)C(F)(F)F)NCN=C
InChIInChI=1S/C10H15F3N2/c1-4-9(15-7-14-3)6-5-8(2)10(11,12)13/h4-5,9,15H,1,3,6-7H2,2H3/b8-5+
InChIKeyVMCAWWCNCQTSAI-VMPITWQZSA-N
MW220.24 g/mol
LogP2.69
Rot. Bonds6

About (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine

(5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine (PubChem CID 143596338) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine
PubChem CID143596338
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name(5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine
SMILESC=CC(C/C=C(\C)C(F)(F)F)NCN=C
InChIInChI=1S/C10H15F3N2/c1-4-9(15-7-14-3)6-5-8(2)10(11,12)13/h4-5,9,15H,1,3,6-7H2,2H3/b8-5+
InChIKeyVMCAWWCNCQTSAI-VMPITWQZSA-N
XLogP2.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E,3Z)-N-ethyl-1-(methylideneamino)-2-(trifluoromethyl)penta-1,3-dien-1-amine
CID 142990915
4-(difluoromethyl)-N-[1-(methylideneamino)ethyl]cyclohexa-2,4-dien-1-amine
CID 143596357

Frequently Asked Questions

What is the IUPAC name of (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine?
The IUPAC name of (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine (CID 143596338) is (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine.
What is the SMILES notation for (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine?
The canonical SMILES for (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine is C=CC(C/C=C(\C)C(F)(F)F)NCN=C.
What is the InChIKey of (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine?
The InChIKey is VMCAWWCNCQTSAI-VMPITWQZSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-4-9(15-7-14-3)6-5-8(2)10(11,12)13/h4-5,9,15H,1,3,6-7H2,2H3/b8-5+.
What are the key properties of (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine?
(5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine has a molecular weight of 220.24 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-7,7,7-trifluoro-6-methyl-N-[(methylideneamino)methyl]hepta-1,5-dien-3-amine is sourced from PubChem (CID 143596338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).