N-but-3-en-2-ylidene-N'-methylmethanimidamide

C6H10N2 — CID 90046057

IUPACN-but-3-en-2-ylidene-N'-methylmethanimidamide
SMILESC=C/C(C)=N/C=N/C
InChIInChI=1S/C6H10N2/c1-4-6(2)8-5-7-3/h4-5H,1H2,2-3H3/b7-5+,8-6+
InChIKeyGDLWVALSBAQZKX-KQQUZDAGSA-N
MW110.16 g/mol
LogP1.29
Rot. Bonds2

About N-but-3-en-2-ylidene-N'-methylmethanimidamide

N-but-3-en-2-ylidene-N'-methylmethanimidamide (PubChem CID 90046057) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-but-3-en-2-ylidene-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-but-3-en-2-ylidene-N'-methylmethanimidamide
PubChem CID90046057
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-but-3-en-2-ylidene-N'-methylmethanimidamide
SMILESC=C/C(C)=N/C=N/C
InChIInChI=1S/C6H10N2/c1-4-6(2)8-5-7-3/h4-5H,1H2,2-3H3/b7-5+,8-6+
InChIKeyGDLWVALSBAQZKX-KQQUZDAGSA-N
XLogP1.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
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-but-3-en-2-ylidene-N'-methylmethanimidamide?
The IUPAC name of N-but-3-en-2-ylidene-N'-methylmethanimidamide (CID 90046057) is N-but-3-en-2-ylidene-N'-methylmethanimidamide.
What is the SMILES notation for N-but-3-en-2-ylidene-N'-methylmethanimidamide?
The canonical SMILES for N-but-3-en-2-ylidene-N'-methylmethanimidamide is C=C/C(C)=N/C=N/C.
What is the InChIKey of N-but-3-en-2-ylidene-N'-methylmethanimidamide?
The InChIKey is GDLWVALSBAQZKX-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-6(2)8-5-7-3/h4-5H,1H2,2-3H3/b7-5+,8-6+.
What are the key properties of N-but-3-en-2-ylidene-N'-methylmethanimidamide?
N-but-3-en-2-ylidene-N'-methylmethanimidamide has a molecular weight of 110.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylidene-N'-methylmethanimidamide is sourced from PubChem (CID 90046057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).