N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide

C8H12N2 — CID 143760163

IUPACN'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide
SMILESC=CC(=C)C(=C)N/C=N/C
InChIInChI=1S/C8H12N2/c1-5-7(2)8(3)10-6-9-4/h5-6H,1-3H2,4H3,(H,9,10)
InChIKeyJWWWUILYSHXPBG-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.49
Rot. Bonds4

About N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide

N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide (PubChem CID 143760163) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide
PubChem CID143760163
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide
SMILESC=CC(=C)C(=C)N/C=N/C
InChIInChI=1S/C8H12N2/c1-5-7(2)8(3)10-6-9-4/h5-6H,1-3H2,4H3,(H,9,10)
InChIKeyJWWWUILYSHXPBG-UHFFFAOYSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.49
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 143256855
N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
CID 143349854
ethane;N-[(2E)-3-(ethylideneamino)penta-2,4-dien-2-yl]-N'-methylmethanimidamide
CID 143349853
N'-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidamide
CID 171835163
N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide
CID 163978449
(Z)-N-(methyliminomethyl)but-2-enamide
CID 126653439
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
4-methoxy-5-methyl-3-methylidenehexa-1,4-diene
CID 15914369
3-methylidene-N-(propan-2-ylideneamino)pent-4-en-2-imine
CID 123610497
(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
CID 163753108
N-(hydroxyiminomethyl)-3-oxopent-4-enamide
CID 137193135

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide?
The IUPAC name of N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide (CID 143760163) is N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide is C=CC(=C)C(=C)N/C=N/C.
What is the InChIKey of N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide?
The InChIKey is JWWWUILYSHXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-5-7(2)8(3)10-6-9-4/h5-6H,1-3H2,4H3,(H,9,10).
What are the key properties of N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide?
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide has a molecular weight of 136.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)methanimidamide is sourced from PubChem (CID 143760163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).