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

C8H14N2 — CID 91266873

IUPACN'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
SMILESC=C(C)C(=C)N/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-6(2)7(3)10-8(4)9-5/h1,3H2,2,4-5H3,(H,9,10)
InChIKeyKNIPYVHVGVWGBN-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds2

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

N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide (PubChem CID 91266873) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
PubChem CID91266873
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
SMILESC=C(C)C(=C)N/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-6(2)7(3)10-8(4)9-5/h1,3H2,2,4-5H3,(H,9,10)
InChIKeyKNIPYVHVGVWGBN-UHFFFAOYSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
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'-methylethanimidamide
CID 164878265
N-but-1-en-2-yl-N'-methylethanimidamide
CID 89152931
2,5-dimethyl-6-methylidene-1H-pyrimidine
CID 141968414
N'-ethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
CID 144723066
5-ethenyl-N,2-dimethyl-6-methylidene-1H-pyrimidin-4-amine
CID 146659525
N-(3-iodo-3-methylbut-1-en-2-yl)-N'-methylethanimidamide
CID 166786274
N',2-dimethyl-N-(3-methylbut-1-en-2-yl)prop-2-enimidamide
CID 174313487
1-(2,5-dimethyl-6-methylidene-1H-pyrimidin-4-yl)ethenamine
CID 174326657
6-But-2-en-2-yl-2-methyl-1,4-dihydropyrimidine
CID 59890255
5,6-Di(ethylidene)-2-methyl-1,4-dihydropyrimidine
CID 59890258
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide
CID 143760127
N'-methyl-N-penta-1,4-dien-2-ylethanimidamide
CID 143760171

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide?
The IUPAC name of N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide (CID 91266873) is N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide is C=C(C)C(=C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide?
The InChIKey is KNIPYVHVGVWGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)7(3)10-8(4)9-5/h1,3H2,2,4-5H3,(H,9,10).
What are the key properties of N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide?
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.71, 2 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)ethanimidamide is sourced from PubChem (CID 91266873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).