N-but-2-en-2-yl-N'-methylmethanimidamide

C6H12N2 — CID 59874817

IUPACN-but-2-en-2-yl-N'-methylmethanimidamide
SMILESCC=C(C)N/C=N/C
InChIInChI=1S/C6H12N2/c1-4-6(2)8-5-7-3/h4-5H,1-3H3,(H,7,8)
InChIKeyRPVIQYCOFZJQKX-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds2

About N-but-2-en-2-yl-N'-methylmethanimidamide

N-but-2-en-2-yl-N'-methylmethanimidamide (PubChem CID 59874817) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-but-2-en-2-yl-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N'-methylmethanimidamide
PubChem CID59874817
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-but-2-en-2-yl-N'-methylmethanimidamide
SMILESCC=C(C)N/C=N/C
InChIInChI=1S/C6H12N2/c1-4-6(2)8-5-7-3/h4-5H,1-3H3,(H,7,8)
InChIKeyRPVIQYCOFZJQKX-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.16
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'}

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Related Compounds

N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide
CID 123336063
N-[(E)-1-aminoprop-1-en-2-yl]-N'-(1-fluoroethyl)methanimidamide
CID 173795794
6-Methyl-1,4-dihydropyrimidine
CID 19748724
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
6-ethylidene-N-methyl-1H-pyrimidin-4-amine
CID 89513878
N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 90315791
N,6-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452821
N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
CID 90453085
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007
N-[(E)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 90807212
N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 90809121
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125

Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N'-methylmethanimidamide?
The IUPAC name of N-but-2-en-2-yl-N'-methylmethanimidamide (CID 59874817) is N-but-2-en-2-yl-N'-methylmethanimidamide.
What is the SMILES notation for N-but-2-en-2-yl-N'-methylmethanimidamide?
The canonical SMILES for N-but-2-en-2-yl-N'-methylmethanimidamide is CC=C(C)N/C=N/C.
What is the InChIKey of N-but-2-en-2-yl-N'-methylmethanimidamide?
The InChIKey is RPVIQYCOFZJQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(2)8-5-7-3/h4-5H,1-3H3,(H,7,8).
What are the key properties of N-but-2-en-2-yl-N'-methylmethanimidamide?
N-but-2-en-2-yl-N'-methylmethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N'-methylmethanimidamide is sourced from PubChem (CID 59874817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).