(2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine

C13H20F3N — CID 163652398

IUPAC(2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine
SMILESCC/C(=C\C=C\C=C\CNC(C)C)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-4-12(13(14,15)16)9-7-5-6-8-10-17-11(2)3/h5-9,11,17H,4,10H2,1-3H3/b7-5+,8-6+,12-9+
InChIKeyINHWDHVGLCHTIT-DCMLSGFISA-N
MW247.30 g/mol
LogP4.00
Rot. Bonds6

About (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine

(2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine (PubChem CID 163652398) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine
PubChem CID163652398
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name(2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine
SMILESCC/C(=C\C=C\C=C\CNC(C)C)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-4-12(13(14,15)16)9-7-5-6-8-10-17-11(2)3/h5-9,11,17H,4,10H2,1-3H3/b7-5+,8-6+,12-9+
InChIKeyINHWDHVGLCHTIT-DCMLSGFISA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclopentadienyl)aminohexafluoropropane
CID 168266424
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
(3E,5Z)-6-ethenyl-9,9-difluoro-3-methyldeca-3,5-dien-2-amine
CID 88998055
(3Z,5Z)-6-methyl-2-N-[(4Z)-3-methylidene-6-(trifluoromethyl)hepta-1,4,6-trien-2-yl]octa-3,5,7-triene-2,3-diamine
CID 88998201
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(1R)-3-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-amine
CID 89410890
(Z,2S,6R)-6-fluoro-3-methylideneoct-4-en-2-amine
CID 89952007
2-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 89994792
5-Methyl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 90137192
8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine
CID 91460499

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine (CID 163652398) is (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine is CC/C(=C\C=C\C=C\CNC(C)C)C(F)(F)F.
What is the InChIKey of (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine?
The InChIKey is INHWDHVGLCHTIT-DCMLSGFISA-N. The full InChI is InChI=1S/C13H20F3N/c1-4-12(13(14,15)16)9-7-5-6-8-10-17-11(2)3/h5-9,11,17H,4,10H2,1-3H3/b7-5+,8-6+,12-9+.
What are the key properties of (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine?
(2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine has a molecular weight of 247.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-N-propan-2-yl-7-(trifluoromethyl)nona-2,4,6-trien-1-amine is sourced from PubChem (CID 163652398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).