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

C7H12N2 — CID 144711369

IUPACN'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide
SMILESC=C(C)C(=C)N/C=N/C
InChIInChI=1S/C7H12N2/c1-6(2)7(3)9-5-8-4/h5H,1,3H2,2,4H3,(H,8,9)
InChIKeyPVOUDDDZZHNXEM-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.32
Rot. Bonds3

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

N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide (PubChem CID 144711369) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide
PubChem CID144711369
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide
SMILESC=C(C)C(=C)N/C=N/C
InChIInChI=1S/C7H12N2/c1-6(2)7(3)9-5-8-4/h5H,1,3H2,2,4H3,(H,8,9)
InChIKeyPVOUDDDZZHNXEM-UHFFFAOYSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.32
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-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylcarbamimidoyl chloride
CID 144829310
5-Methyl-4-methylene-1,4-dihydropyrimidine
CID 45080169
4,4-dimethyl-5-methylidene-1H-imidazole
CID 58182893
N'-methyl-N-(3-methylbut-1-en-2-yl)methanimidamide
CID 89281937
N'-(3-methylbuta-1,3-dien-2-yl)methanimidamide
CID 123139579
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 123530565
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482
N-but-1-en-2-yl-N'-methylmethanimidamide
CID 132036532
N-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide;ethane
CID 143256854
4,5-dimethyl-6-methylidene-1H-pyrimidine
CID 146177416

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide?
The IUPAC name of N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide (CID 144711369) is N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide is C=C(C)C(=C)N/C=N/C.
What is the InChIKey of N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide?
The InChIKey is PVOUDDDZZHNXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)7(3)9-5-8-4/h5H,1,3H2,2,4H3,(H,8,9).
What are the key properties of N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide?
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)methanimidamide is sourced from PubChem (CID 144711369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).