(1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine

C18H30F3N3 — CID 146292251

IUPAC(1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine
SMILESC/C=C(\C=C(/C)NCC(F)(F)F)C(N)C/C=C/C(=C/NC)CCC
InChIInChI=1S/C18H30F3N3/c1-5-8-15(12-23-4)9-7-10-17(22)16(6-2)11-14(3)24-13-18(19,20)21/h6-7,9,11-12,17,23-24H,5,8,10,13,22H2,1-4H3/b9-7+,14-11+,15-12+,16-6+
InChIKeyQCFKPCBGICJBKM-IKVWGPEDSA-N
MW345.45 g/mol
LogP4.17
Rot. Bonds10

About (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine

(1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine (PubChem CID 146292251) has the molecular formula C18H30F3N3 and a molecular weight of 345.45 g/mol. Its IUPAC name is (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine.

Molecular Properties

Compound Name(1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine
PubChem CID146292251
Molecular FormulaC18H30F3N3
Molecular Weight345.45 g/mol
Exact Mass345.24
IUPAC Name(1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine
SMILESC/C=C(\C=C(/C)NCC(F)(F)F)C(N)C/C=C/C(=C/NC)CCC
InChIInChI=1S/C18H30F3N3/c1-5-8-15(12-23-4)9-7-10-17(22)16(6-2)11-14(3)24-13-18(19,20)21/h6-7,9,11-12,17,23-24H,5,8,10,13,22H2,1-4H3/b9-7+,14-11+,15-12+,16-6+
InChIKeyQCFKPCBGICJBKM-IKVWGPEDSA-N
XLogP4.17
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine?
The IUPAC name of (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine (CID 146292251) is (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine.
What is the SMILES notation for (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine?
The canonical SMILES for (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine is C/C=C(\C=C(/C)NCC(F)(F)F)C(N)C/C=C/C(=C/NC)CCC.
What is the InChIKey of (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine?
The InChIKey is QCFKPCBGICJBKM-IKVWGPEDSA-N. The full InChI is InChI=1S/C18H30F3N3/c1-5-8-15(12-23-4)9-7-10-17(22)16(6-2)11-14(3)24-13-18(19,20)21/h6-7,9,11-12,17,23-24H,5,8,10,13,22H2,1-4H3/b9-7+,14-11+,15-12+,16-6+.
What are the key properties of (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine?
(1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine has a molecular weight of 345.45 g/mol, XLogP of 4.17, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,7E,8E)-7-ethylidene-1-N-methyl-2-propyl-9-N-(2,2,2-trifluoroethyl)deca-1,3,8-triene-1,6,9-triamine is sourced from PubChem (CID 146292251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).