N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide

C6H10N4 — CID 126593034

IUPACN'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide
SMILES[H]/N=C/N=C(N)/C=N/C=C/C
InChIInChI=1S/C6H10N4/c1-2-3-9-4-6(8)10-5-7/h2-5H,1H3,(H3,7,8,10)/b3-2+,9-4+
InChIKeyJRPPNBJKAWLFPO-DSXPNFDZSA-N
MW138.17 g/mol
LogP0.56
Rot. Bonds3

About N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide

N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide (PubChem CID 126593034) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide
PubChem CID126593034
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC NameN'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide
SMILES[H]/N=C/N=C(N)/C=N/C=C/C
InChIInChI=1S/C6H10N4/c1-2-3-9-4-6(8)10-5-7/h2-5H,1H3,(H3,7,8,10)/b3-2+,9-4+
InChIKeyJRPPNBJKAWLFPO-DSXPNFDZSA-N
XLogP0.56
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide?
The IUPAC name of N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide (CID 126593034) is N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide.
What is the SMILES notation for N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide?
The canonical SMILES for N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide is [H]/N=C/N=C(N)/C=N/C=C/C.
What is the InChIKey of N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide?
The InChIKey is JRPPNBJKAWLFPO-DSXPNFDZSA-N. The full InChI is InChI=1S/C6H10N4/c1-2-3-9-4-6(8)10-5-7/h2-5H,1H3,(H3,7,8,10)/b3-2+,9-4+.
What are the key properties of N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide?
N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide has a molecular weight of 138.17 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide is sourced from PubChem (CID 126593034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).