(2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide

C18H28N2 — CID 155312182

IUPAC(2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide
SMILESC=C/C=C(C)\N=C(N)\C=C/C(=C\C)CC(C)C(C)C=C
InChIInChI=1S/C18H28N2/c1-7-10-16(6)20-18(19)12-11-17(9-3)13-15(5)14(4)8-2/h7-12,14-15H,1-2,13H2,3-6H3,(H2,19,20)/b12-11-,16-10-,17-9+
InChIKeyNBKJPARJYCUGSQ-SLGBQARUSA-N
MW272.44 g/mol
LogP4.78
Rot. Bonds8

About (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide

(2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide (PubChem CID 155312182) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide.

Molecular Properties

Compound Name(2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide
PubChem CID155312182
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide
SMILESC=C/C=C(C)\N=C(N)\C=C/C(=C\C)CC(C)C(C)C=C
InChIInChI=1S/C18H28N2/c1-7-10-16(6)20-18(19)12-11-17(9-3)13-15(5)14(4)8-2/h7-12,14-15H,1-2,13H2,3-6H3,(H2,19,20)/b12-11-,16-10-,17-9+
InChIKeyNBKJPARJYCUGSQ-SLGBQARUSA-N
XLogP4.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
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'}

Analyze (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide?
The IUPAC name of (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide (CID 155312182) is (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide.
What is the SMILES notation for (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide?
The canonical SMILES for (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide is C=C/C=C(C)\N=C(N)\C=C/C(=C\C)CC(C)C(C)C=C.
What is the InChIKey of (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide?
The InChIKey is NBKJPARJYCUGSQ-SLGBQARUSA-N. The full InChI is InChI=1S/C18H28N2/c1-7-10-16(6)20-18(19)12-11-17(9-3)13-15(5)14(4)8-2/h7-12,14-15H,1-2,13H2,3-6H3,(H2,19,20)/b12-11-,16-10-,17-9+.
What are the key properties of (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide?
(2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide has a molecular weight of 272.44 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-ethylidene-6,7-dimethyl-N'-[(2Z)-penta-2,4-dien-2-yl]nona-2,8-dienimidamide is sourced from PubChem (CID 155312182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).