N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine

C16H24F3N — CID 156844013

IUPACN-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine
SMILESC=NC(=C(C)CC)C(/C=C\C)=C/C(CCC)C(F)(F)F
InChIInChI=1S/C16H24F3N/c1-6-9-13(15(20-5)12(4)8-3)11-14(10-7-2)16(17,18)19/h6,9,11,14H,5,7-8,10H2,1-4H3/b9-6-,13-11+,15-12?
InChIKeyNSSZNRZFDRNANB-BVRQMOMLSA-N
MW287.37 g/mol
LogP5.85
Rot. Bonds7

About N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine

N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine (PubChem CID 156844013) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine
PubChem CID156844013
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine
SMILESC=NC(=C(C)CC)C(/C=C\C)=C/C(CCC)C(F)(F)F
InChIInChI=1S/C16H24F3N/c1-6-9-13(15(20-5)12(4)8-3)11-14(10-7-2)16(17,18)19/h6,9,11,14H,5,7-8,10H2,1-4H3/b9-6-,13-11+,15-12?
InChIKeyNSSZNRZFDRNANB-BVRQMOMLSA-N
XLogP5.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine?
The IUPAC name of N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine (CID 156844013) is N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine.
What is the SMILES notation for N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine?
The canonical SMILES for N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine is C=NC(=C(C)CC)C(/C=C\C)=C/C(CCC)C(F)(F)F.
What is the InChIKey of N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine?
The InChIKey is NSSZNRZFDRNANB-BVRQMOMLSA-N. The full InChI is InChI=1S/C16H24F3N/c1-6-9-13(15(20-5)12(4)8-3)11-14(10-7-2)16(17,18)19/h6,9,11,14H,5,7-8,10H2,1-4H3/b9-6-,13-11+,15-12?.
What are the key properties of N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine?
N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine has a molecular weight of 287.37 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-3-methyl-5-[(Z)-prop-1-enyl]-7-(trifluoromethyl)deca-3,5-dien-4-yl]methanimine is sourced from PubChem (CID 156844013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).