2-methylidene-N-propylidenebut-3-enimidamide

C8H12N2 — CID 122448002

IUPAC2-methylidene-N-propylidenebut-3-enimidamide
SMILES[H]N=C(/N=C/CC)C(=C)C=C
InChIInChI=1S/C8H12N2/c1-4-6-10-8(9)7(3)5-2/h5-6,9H,2-4H2,1H3/b9-8-,10-6+
InChIKeyFGIQBEAYXONWTM-GEZUXRPRSA-N
MW136.20 g/mol
LogP2.19
Rot. Bonds3

About 2-methylidene-N-propylidenebut-3-enimidamide

2-methylidene-N-propylidenebut-3-enimidamide (PubChem CID 122448002) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methylidene-N-propylidenebut-3-enimidamide.

Molecular Properties

Compound Name2-methylidene-N-propylidenebut-3-enimidamide
PubChem CID122448002
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methylidene-N-propylidenebut-3-enimidamide
SMILES[H]N=C(/N=C/CC)C(=C)C=C
InChIInChI=1S/C8H12N2/c1-4-6-10-8(9)7(3)5-2/h5-6,9H,2-4H2,1H3/b9-8-,10-6+
InChIKeyFGIQBEAYXONWTM-GEZUXRPRSA-N
XLogP2.19
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-propylidenebut-3-enimidamide?
The IUPAC name of 2-methylidene-N-propylidenebut-3-enimidamide (CID 122448002) is 2-methylidene-N-propylidenebut-3-enimidamide.
What is the SMILES notation for 2-methylidene-N-propylidenebut-3-enimidamide?
The canonical SMILES for 2-methylidene-N-propylidenebut-3-enimidamide is [H]N=C(/N=C/CC)C(=C)C=C.
What is the InChIKey of 2-methylidene-N-propylidenebut-3-enimidamide?
The InChIKey is FGIQBEAYXONWTM-GEZUXRPRSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-6-10-8(9)7(3)5-2/h5-6,9H,2-4H2,1H3/b9-8-,10-6+.
What are the key properties of 2-methylidene-N-propylidenebut-3-enimidamide?
2-methylidene-N-propylidenebut-3-enimidamide has a molecular weight of 136.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-propylidenebut-3-enimidamide is sourced from PubChem (CID 122448002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).