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

C6H12N2 — CID 135303217

IUPACN-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)CC
InChIInChI=1S/C6H12N2/c1-3-5-8(4-2)6-7/h3,5-7H,4H2,1-2H3/b5-3-,7-6+
InChIKeySAUDEPBPOPTXSL-AIJKMKQJSA-N
MW112.18 g/mol
LogP1.45
Rot. Bonds3

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

N-ethyl-N-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 135303217) 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 CID135303217
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(/C=C\C)CC
InChIInChI=1S/C6H12N2/c1-3-5-8(4-2)6-7/h3,5-7H,4H2,1-2H3/b5-3-,7-6+
InChIKeySAUDEPBPOPTXSL-AIJKMKQJSA-N
XLogP1.45
TPSA27.09 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 ≤ 51.45
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 135303217) 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 [H]/N=C/N(/C=C\C)CC.
What is the InChIKey of N-ethyl-N-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is SAUDEPBPOPTXSL-AIJKMKQJSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-8(4-2)6-7/h3,5-7H,4H2,1-2H3/b5-3-,7-6+.
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 1.45, 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 135303217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).