N-[(E)-but-1-enyl]-N'-methylmethanimidamide

C6H12N2 — CID 89294540

IUPACN-[(E)-but-1-enyl]-N'-methylmethanimidamide
SMILESCC/C=C/N/C=N/C
InChIInChI=1S/C6H12N2/c1-3-4-5-8-6-7-2/h4-6H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKeyISOIWIUJYQQRJE-SNAWJCMRSA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds3

About N-[(E)-but-1-enyl]-N'-methylmethanimidamide

N-[(E)-but-1-enyl]-N'-methylmethanimidamide (PubChem CID 89294540) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-N'-methylmethanimidamide
PubChem CID89294540
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-[(E)-but-1-enyl]-N'-methylmethanimidamide
SMILESCC/C=C/N/C=N/C
InChIInChI=1S/C6H12N2/c1-3-4-5-8-6-7-2/h4-6H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKeyISOIWIUJYQQRJE-SNAWJCMRSA-N
XLogP1.16
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 ≤ 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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(E)-but-1-enyl]-N'-methylmethanimidamide (CID 89294540) is N-[(E)-but-1-enyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(E)-but-1-enyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(E)-but-1-enyl]-N'-methylmethanimidamide is CC/C=C/N/C=N/C.
What is the InChIKey of N-[(E)-but-1-enyl]-N'-methylmethanimidamide?
The InChIKey is ISOIWIUJYQQRJE-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-5-8-6-7-2/h4-6H,3H2,1-2H3,(H,7,8)/b5-4+.
What are the key properties of N-[(E)-but-1-enyl]-N'-methylmethanimidamide?
N-[(E)-but-1-enyl]-N'-methylmethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-N'-methylmethanimidamide is sourced from PubChem (CID 89294540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).