N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide

C20H31F3NO+ — CID 136500989

IUPACN-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide
SMILESC=CC(=C[C+](C=C)CC(C)CCN(CC)C(=O)CCCC)C(F)(F)F
InChIInChI=1S/C20H31F3NO/c1-6-10-11-19(25)24(9-4)13-12-16(5)14-17(7-2)15-18(8-3)20(21,22)23/h7-8,15-16H,2-3,6,9-14H2,1,4-5H3/q+1
InChIKeyDGOTZFNTXVIBPG-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.88
Rot. Bonds12

About N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide

N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide (PubChem CID 136500989) has the molecular formula C20H31F3NO+ and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide.

Molecular Properties

Compound NameN-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide
PubChem CID136500989
Molecular FormulaC20H31F3NO+
Molecular Weight358.47 g/mol
Exact Mass358.24
IUPAC NameN-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide
SMILESC=CC(=C[C+](C=C)CC(C)CCN(CC)C(=O)CCCC)C(F)(F)F
InChIInChI=1S/C20H31F3NO/c1-6-10-11-19(25)24(9-4)13-12-16(5)14-17(7-2)15-18(8-3)20(21,22)23/h7-8,15-16H,2-3,6,9-14H2,1,4-5H3/q+1
InChIKeyDGOTZFNTXVIBPG-UHFFFAOYSA-N
XLogP5.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-ethylpentanamide
CID 4629847
5-amino-N-butyl-N-ethylhexanamide
CID 82848623
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
CID 146341512
3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 119191273
5-amino-N,N-diethylhexanamide
CID 82848451
N-ethyl-N-octylbutanamide
CID 138793187
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N-ethyl-N-(2-hydroxyethyl)pent-4-enamide
CID 62678717
5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992814
N,N-di(undecyl)pentanamide
CID 532896

Frequently Asked Questions

What is the IUPAC name of N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide?
The IUPAC name of N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide (CID 136500989) is N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide.
What is the SMILES notation for N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide?
The canonical SMILES for N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide is C=CC(=C[C+](C=C)CC(C)CCN(CC)C(=O)CCCC)C(F)(F)F.
What is the InChIKey of N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide?
The InChIKey is DGOTZFNTXVIBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3NO/c1-6-10-11-19(25)24(9-4)13-12-16(5)14-17(7-2)15-18(8-3)20(21,22)23/h7-8,15-16H,2-3,6,9-14H2,1,4-5H3/q+1.
What are the key properties of N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide?
N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide has a molecular weight of 358.47 g/mol, XLogP of 5.88, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide is sourced from PubChem (CID 136500989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).