ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide

C10H18N2 — CID 165120354

IUPACethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide
SMILESC=C.C=CC(N/C=N/C)=C(C)C
InChIInChI=1S/C8H14N2.C2H4/c1-5-8(7(2)3)10-6-9-4;1-2/h5-6H,1H2,2-4H3,(H,9,10);1-2H2
InChIKeyOPIAOTRUFOFNDY-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.52
Rot. Bonds3

About ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide

ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide (PubChem CID 165120354) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide.

Molecular Properties

Compound Nameethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide
PubChem CID165120354
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide
SMILESC=C.C=CC(N/C=N/C)=C(C)C
InChIInChI=1S/C8H14N2.C2H4/c1-5-8(7(2)3)10-6-9-4;1-2/h5-6H,1H2,2-4H3,(H,9,10);1-2H2
InChIKeyOPIAOTRUFOFNDY-UHFFFAOYSA-N
XLogP2.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.52
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'}

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Related Compounds

N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 130240102
N'-methyl-N-[(4Z)-2-methylhexa-2,4-dien-3-yl]carbamimidoyl chloride
CID 88189430
N-[(2Z,4Z)-1-amino-2-methylhexa-2,4-dien-3-yl]-N'-methylmethanimidamide
CID 90454013
5,6-Dimethyl-1,4-dihydropyrimidine;ethane
CID 91034579
N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
CID 123298095
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
N'-ethyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide
CID 129253260
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N'-methylmethanimidamide
CID 132199712
N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidamide
CID 134443430
N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]methanimidamide
CID 135243191
4,9-dimethylidene-1H-1,3-diazonine
CID 137458796
N'-methyl-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
CID 138528272

Frequently Asked Questions

What is the IUPAC name of ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide?
The IUPAC name of ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide (CID 165120354) is ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide.
What is the SMILES notation for ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide?
The canonical SMILES for ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide is C=C.C=CC(N/C=N/C)=C(C)C.
What is the InChIKey of ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide?
The InChIKey is OPIAOTRUFOFNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2H4/c1-5-8(7(2)3)10-6-9-4;1-2/h5-6H,1H2,2-4H3,(H,9,10);1-2H2.
What are the key properties of ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide?
ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N'-methyl-N-(4-methylpenta-1,3-dien-3-yl)methanimidamide is sourced from PubChem (CID 165120354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).