(2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide

C17H28N2 — CID 170036965

IUPAC(2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide
SMILESC=CCC(CC)/C(=C/C=C(C)/C(=N/C)/N=C/C)CC
InChIInChI=1S/C17H28N2/c1-7-11-15(8-2)16(9-3)13-12-14(5)17(18-6)19-10-4/h7,10,12-13,15H,1,8-9,11H2,2-6H3/b14-12+,16-13+,18-17-,19-10+
InChIKeyOBGRFUCXUNSFGX-IBVYIIHBSA-N
MW260.43 g/mol
LogP4.99
Rot. Bonds7

About (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide

(2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide (PubChem CID 170036965) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide.

Molecular Properties

Compound Name(2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide
PubChem CID170036965
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide
SMILESC=CCC(CC)/C(=C/C=C(C)/C(=N/C)/N=C/C)CC
InChIInChI=1S/C17H28N2/c1-7-11-15(8-2)16(9-3)13-12-14(5)17(18-6)19-10-4/h7,10,12-13,15H,1,8-9,11H2,2-6H3/b14-12+,16-13+,18-17-,19-10+
InChIKeyOBGRFUCXUNSFGX-IBVYIIHBSA-N
XLogP4.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide?
The IUPAC name of (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide (CID 170036965) is (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide.
What is the SMILES notation for (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide?
The canonical SMILES for (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide is C=CCC(CC)/C(=C/C=C(C)/C(=N/C)/N=C/C)CC.
What is the InChIKey of (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide?
The InChIKey is OBGRFUCXUNSFGX-IBVYIIHBSA-N. The full InChI is InChI=1S/C17H28N2/c1-7-11-15(8-2)16(9-3)13-12-14(5)17(18-6)19-10-4/h7,10,12-13,15H,1,8-9,11H2,2-6H3/b14-12+,16-13+,18-17-,19-10+.
What are the key properties of (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide?
(2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide has a molecular weight of 260.43 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,6-diethyl-N-ethylidene-N',2-dimethylnona-2,4,8-trienimidamide is sourced from PubChem (CID 170036965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).