2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide

C8H14N2 — CID 144647201

IUPAC2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide
SMILESC=CC(C)/C(N)=N/C=C\C
InChIInChI=1S/C8H14N2/c1-4-6-10-8(9)7(3)5-2/h4-7H,2H2,1,3H3,(H2,9,10)/b6-4-
InChIKeyAGABOOAWGJBODU-XQRVVYSFSA-N
MW138.21 g/mol
LogP1.70
Rot. Bonds3

About 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide

2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide (PubChem CID 144647201) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide
PubChem CID144647201
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide
SMILESC=CC(C)/C(N)=N/C=C\C
InChIInChI=1S/C8H14N2/c1-4-6-10-8(9)7(3)5-2/h4-7H,2H2,1,3H3,(H2,9,10)/b6-4-
InChIKeyAGABOOAWGJBODU-XQRVVYSFSA-N
XLogP1.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.70
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide?
The IUPAC name of 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide (CID 144647201) is 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide.
What is the SMILES notation for 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide?
The canonical SMILES for 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide is C=CC(C)/C(N)=N/C=C\C.
What is the InChIKey of 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide?
The InChIKey is AGABOOAWGJBODU-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-6-10-8(9)7(3)5-2/h4-7H,2H2,1,3H3,(H2,9,10)/b6-4-.
What are the key properties of 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide?
2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide is sourced from PubChem (CID 144647201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).