(5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine

C13H21F3N2 — CID 156837554

IUPAC(5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine
SMILES[H]/N=C(/C=C\C(C)=C\CCC(C)CNC)C(F)(F)F
InChIInChI=1S/C13H21F3N2/c1-10(5-4-6-11(2)9-18-3)7-8-12(17)13(14,15)16/h5,7-8,11,17-18H,4,6,9H2,1-3H3/b8-7-,10-5+,17-12-
InChIKeyJMYZGRNNKROTAT-JGVCJVRHSA-N
MW262.32 g/mol
LogP3.71
Rot. Bonds7

About (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine

(5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine (PubChem CID 156837554) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine.

Molecular Properties

Compound Name(5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine
PubChem CID156837554
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name(5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine
SMILES[H]/N=C(/C=C\C(C)=C\CCC(C)CNC)C(F)(F)F
InChIInChI=1S/C13H21F3N2/c1-10(5-4-6-11(2)9-18-3)7-8-12(17)13(14,15)16/h5,7-8,11,17-18H,4,6,9H2,1-3H3/b8-7-,10-5+,17-12-
InChIKeyJMYZGRNNKROTAT-JGVCJVRHSA-N
XLogP3.71
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine with MolForge

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Related Compounds

4-[(3Z,5Z)-7-imino-3-(trifluoromethyl)octa-1,3,5-trien-4-yl]-N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 123755567
(3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine
CID 143866557
ethane;N-[2-[(3Z,8Z,10Z)-5-methyl-2,10-bis(trifluoromethyl)-1-azacycloundeca-1,3,8,10-tetraen-4-yl]ethyl]heptan-1-amine
CID 144426181
N-[2-[(3Z,8Z,10Z)-5-methyl-2,10-bis(trifluoromethyl)-1-azacycloundeca-1,3,8,10-tetraen-4-yl]ethyl]heptan-1-amine
CID 144426182
(1E,3Z)-2-chloro-N',7-dimethyl-3-[(Z)-4,4,4-trifluoro-3-iminobut-1-enyl]octa-1,3-diene-1,8-diamine
CID 156837396
(3E)-3-ethyl-2-imino-N-methylhexa-3,5-dien-1-amine;5-methylcyclohexa-1,3-diene
CID 145198925
(2Z,4E)-4,8-dimethyl-9-(methylamino)nona-2,4-dienimidoyl bromide
CID 166992242

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine?
The IUPAC name of (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine (CID 156837554) is (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine.
What is the SMILES notation for (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine?
The canonical SMILES for (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine is [H]/N=C(/C=C\C(C)=C\CCC(C)CNC)C(F)(F)F.
What is the InChIKey of (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine?
The InChIKey is JMYZGRNNKROTAT-JGVCJVRHSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-10(5-4-6-11(2)9-18-3)7-8-12(17)13(14,15)16/h5,7-8,11,17-18H,4,6,9H2,1-3H3/b8-7-,10-5+,17-12-.
What are the key properties of (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine?
(5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine has a molecular weight of 262.32 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-10,10,10-trifluoro-9-imino-N,2,6-trimethyldeca-5,7-dien-1-amine is sourced from PubChem (CID 156837554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).