N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide

C6H12N2 — CID 90248445

IUPACN'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N/C=N/CC
InChIInChI=1S/C6H12N2/c1-3-5-8-6-7-4-2/h3,5-6H,4H2,1-2H3,(H,7,8)/b5-3-
InChIKeyYPHCQPMZGRZDCJ-HYXAFXHYSA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds3

About N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide

N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 90248445) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
PubChem CID90248445
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N/C=N/CC
InChIInChI=1S/C6H12N2/c1-3-5-8-6-7-4-2/h3,5-6H,4H2,1-2H3,(H,7,8)/b5-3-
InChIKeyYPHCQPMZGRZDCJ-HYXAFXHYSA-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'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide (CID 90248445) is N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide is C/C=C\N/C=N/CC.
What is the InChIKey of N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is YPHCQPMZGRZDCJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-8-6-7-4-2/h3,5-6H,4H2,1-2H3,(H,7,8)/b5-3-.
What are the key properties of N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide?
N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide 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'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 90248445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).