N-but-2-enyl-N'-methylmethanimidamide

C6H12N2 — CID 123160782

IUPACN-but-2-enyl-N'-methylmethanimidamide
SMILESCC=CCN/C=N/C
InChIInChI=1S/C6H12N2/c1-3-4-5-8-6-7-2/h3-4,6H,5H2,1-2H3,(H,7,8)
InChIKeyGIBGWYVOCRGVCE-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.81
Rot. Bonds3

About N-but-2-enyl-N'-methylmethanimidamide

N-but-2-enyl-N'-methylmethanimidamide (PubChem CID 123160782) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-but-2-enyl-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-but-2-enyl-N'-methylmethanimidamide
PubChem CID123160782
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-but-2-enyl-N'-methylmethanimidamide
SMILESCC=CCN/C=N/C
InChIInChI=1S/C6H12N2/c1-3-4-5-8-6-7-2/h3-4,6H,5H2,1-2H3,(H,7,8)
InChIKeyGIBGWYVOCRGVCE-UHFFFAOYSA-N
XLogP0.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diallylguanidine
CID 15368370
N'-methyl-N-prop-2-enylethanimidamide
CID 12683067
2-Methyl-1-prop-2-enylguanidine
CID 18952267
6-Methyl-1,4-dihydropyrimidine
CID 19748724
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
1,2-Dimethyl-3-prop-2-enylguanidine
CID 55218998
N,N'-bis(prop-2-enyl)methanimidamide
CID 55287141
4,5-dihydro-1H-imidazole;prop-2-en-1-amine
CID 70140878
2-Methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780058
N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide
CID 90250577
N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide
CID 90452805
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-N'-methylmethanimidamide?
The IUPAC name of N-but-2-enyl-N'-methylmethanimidamide (CID 123160782) is N-but-2-enyl-N'-methylmethanimidamide.
What is the SMILES notation for N-but-2-enyl-N'-methylmethanimidamide?
The canonical SMILES for N-but-2-enyl-N'-methylmethanimidamide is CC=CCN/C=N/C.
What is the InChIKey of N-but-2-enyl-N'-methylmethanimidamide?
The InChIKey is GIBGWYVOCRGVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-5-8-6-7-2/h3-4,6H,5H2,1-2H3,(H,7,8).
What are the key properties of N-but-2-enyl-N'-methylmethanimidamide?
N-but-2-enyl-N'-methylmethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-N'-methylmethanimidamide is sourced from PubChem (CID 123160782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).