N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide

C12H20N2 — CID 155375659

IUPACN-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide
SMILESC=C(CCCC)C(=N/C)/N=C/C=C\C
InChIInChI=1S/C12H20N2/c1-5-7-9-11(3)12(13-4)14-10-8-6-2/h6,8,10H,3,5,7,9H2,1-2,4H3/b8-6-,13-12-,14-10+
InChIKeyVFVUCUBOLIOPEK-FAYSFXROSA-N
MW192.31 g/mol
LogP3.41
Rot. Bonds5

About N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide

N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide (PubChem CID 155375659) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide
PubChem CID155375659
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide
SMILESC=C(CCCC)C(=N/C)/N=C/C=C\C
InChIInChI=1S/C12H20N2/c1-5-7-9-11(3)12(13-4)14-10-8-6-2/h6,8,10H,3,5,7,9H2,1-2,4H3/b8-6-,13-12-,14-10+
InChIKeyVFVUCUBOLIOPEK-FAYSFXROSA-N
XLogP3.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.41
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide?
The IUPAC name of N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide (CID 155375659) is N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide.
What is the SMILES notation for N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide?
The canonical SMILES for N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide is C=C(CCCC)C(=N/C)/N=C/C=C\C.
What is the InChIKey of N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide?
The InChIKey is VFVUCUBOLIOPEK-FAYSFXROSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-9-11(3)12(13-4)14-10-8-6-2/h6,8,10H,3,5,7,9H2,1-2,4H3/b8-6-,13-12-,14-10+.
What are the key properties of N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide?
N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide has a molecular weight of 192.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide is sourced from PubChem (CID 155375659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).