(E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine

C19H32F3N3 — CID 139506395

IUPAC(E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine
SMILESCCCC(/C=C(\C(C)CC)C1C=NC(C(F)(F)F)=CN1C)N(C)CC
InChIInChI=1S/C19H32F3N3/c1-7-10-15(24(5)9-3)11-16(14(4)8-2)17-12-23-18(13-25(17)6)19(20,21)22/h11-15,17H,7-10H2,1-6H3/b16-11+
InChIKeyWFXOTLYRIPDGMK-LFIBNONCSA-N
MW359.48 g/mol
LogP4.87
Rot. Bonds8

About (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine

(E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine (PubChem CID 139506395) has the molecular formula C19H32F3N3 and a molecular weight of 359.48 g/mol. Its IUPAC name is (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine.

Molecular Properties

Compound Name(E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine
PubChem CID139506395
Molecular FormulaC19H32F3N3
Molecular Weight359.48 g/mol
Exact Mass359.25
IUPAC Name(E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine
SMILESCCCC(/C=C(\C(C)CC)C1C=NC(C(F)(F)F)=CN1C)N(C)CC
InChIInChI=1S/C19H32F3N3/c1-7-10-15(24(5)9-3)11-16(14(4)8-2)17-12-23-18(13-25(17)6)19(20,21)22/h11-15,17H,7-10H2,1-6H3/b16-11+
InChIKeyWFXOTLYRIPDGMK-LFIBNONCSA-N
XLogP4.87
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine?
The IUPAC name of (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine (CID 139506395) is (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine.
What is the SMILES notation for (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine?
The canonical SMILES for (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine is CCCC(/C=C(\C(C)CC)C1C=NC(C(F)(F)F)=CN1C)N(C)CC.
What is the InChIKey of (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine?
The InChIKey is WFXOTLYRIPDGMK-LFIBNONCSA-N. The full InChI is InChI=1S/C19H32F3N3/c1-7-10-15(24(5)9-3)11-16(14(4)8-2)17-12-23-18(13-25(17)6)19(20,21)22/h11-15,17H,7-10H2,1-6H3/b16-11+.
What are the key properties of (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine?
(E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine has a molecular weight of 359.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N,7-dimethyl-6-[1-methyl-5-(trifluoromethyl)-2H-pyrazin-2-yl]non-5-en-4-amine is sourced from PubChem (CID 139506395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).