N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane

C13H22N2 — CID 143635668

IUPACN-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
SMILESC=C(C)/C=C\C(=N\C=N\C)C(=C)C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-9(2)6-7-11(10(3)4)13-8-12-5;1-2/h6-8H,1,3H2,2,4-5H3;1-2H3/b7-6-,12-8+,13-11-;
InChIKeyQWTXUUOKLOYPGF-PKZDIJRBSA-N
MW206.33 g/mol
LogP3.82
Rot. Bonds4

About N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane

N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane (PubChem CID 143635668) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane.

Molecular Properties

Compound NameN-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
PubChem CID143635668
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
SMILESC=C(C)/C=C\C(=N\C=N\C)C(=C)C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-9(2)6-7-11(10(3)4)13-8-12-5;1-2/h6-8H,1,3H2,2,4-5H3;1-2H3/b7-6-,12-8+,13-11-;
InChIKeyQWTXUUOKLOYPGF-PKZDIJRBSA-N
XLogP3.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.82
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane?
The IUPAC name of N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane (CID 143635668) is N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane.
What is the SMILES notation for N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane?
The canonical SMILES for N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane is C=C(C)/C=C\C(=N\C=N\C)C(=C)C.CC.
What is the InChIKey of N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane?
The InChIKey is QWTXUUOKLOYPGF-PKZDIJRBSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-9(2)6-7-11(10(3)4)13-8-12-5;1-2/h6-8H,1,3H2,2,4-5H3;1-2H3/b7-6-,12-8+,13-11-;.
What are the key properties of N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane?
N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane has a molecular weight of 206.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane is sourced from PubChem (CID 143635668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).