N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine

C15H25F3N2 — CID 143043423

IUPACN,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine
SMILESC/C=C(\C=C/C(=C\C)C(F)(F)F)N(CC)CCNCC
InChIInChI=1S/C15H25F3N2/c1-5-13(15(16,17)18)9-10-14(6-2)20(8-4)12-11-19-7-3/h5-6,9-10,19H,7-8,11-12H2,1-4H3/b10-9-,13-5+,14-6+
InChIKeyLSTVSGCWWZGKTI-VWBVVNMPSA-N
MW290.37 g/mol
LogP3.89
Rot. Bonds8

About N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine

N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine (PubChem CID 143043423) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine
PubChem CID143043423
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC NameN,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine
SMILESC/C=C(\C=C/C(=C\C)C(F)(F)F)N(CC)CCNCC
InChIInChI=1S/C15H25F3N2/c1-5-13(15(16,17)18)9-10-14(6-2)20(8-4)12-11-19-7-3/h5-6,9-10,19H,7-8,11-12H2,1-4H3/b10-9-,13-5+,14-6+
InChIKeyLSTVSGCWWZGKTI-VWBVVNMPSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
(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
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478
(Z)-1-[4-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-1,2-dihydropyridin-6-yl]-3,3,3-trifluoroprop-1-en-1-amine
CID 129044709
(5Z,7Z,9Z)-6-fluoro-7-methyl-1-propyl-1,4-diazacyclododeca-5,7,9-triene
CID 129274149
(2E,4Z,6E)-6-N-(2,2-difluoropropyl)-3-N-methylnona-2,4,6-triene-3,6-diamine
CID 130329197
N-(2,2-difluoroethyl)-N'-[4-methyl-3-(3-methyl-2-methylidene-1-pyridinyl)penta-1,3-dien-2-yl]ethane-1,2-diamine
CID 134189006

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine (CID 143043423) is N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine is C/C=C(\C=C/C(=C\C)C(F)(F)F)N(CC)CCNCC.
What is the InChIKey of N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine?
The InChIKey is LSTVSGCWWZGKTI-VWBVVNMPSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-5-13(15(16,17)18)9-10-14(6-2)20(8-4)12-11-19-7-3/h5-6,9-10,19H,7-8,11-12H2,1-4H3/b10-9-,13-5+,14-6+.
What are the key properties of N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine?
N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine has a molecular weight of 290.37 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-[(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 143043423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).