N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide

C6H11N3 — CID 176529851

IUPACN'-methanimidoyl-N-prop-1-en-2-ylethanimidamide
SMILES[H]/N=C/N=C(\C)NC(=C)C
InChIInChI=1S/C6H11N3/c1-5(2)9-6(3)8-4-7/h4H,1H2,2-3H3,(H2,7,8,9)
InChIKeyBBEOQMBUEUSNTR-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.14
Rot. Bonds2

About N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide

N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide (PubChem CID 176529851) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-N-prop-1-en-2-ylethanimidamide
PubChem CID176529851
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-methanimidoyl-N-prop-1-en-2-ylethanimidamide
SMILES[H]/N=C/N=C(\C)NC(=C)C
InChIInChI=1S/C6H11N3/c1-5(2)9-6(3)8-4-7/h4H,1H2,2-3H3,(H2,7,8,9)
InChIKeyBBEOQMBUEUSNTR-UHFFFAOYSA-N
XLogP1.14
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.14
H-Bond Donors ≤ 52
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'-methanimidoyl-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide (CID 176529851) is N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide is [H]/N=C/N=C(\C)NC(=C)C.
What is the InChIKey of N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide?
The InChIKey is BBEOQMBUEUSNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)9-6(3)8-4-7/h4H,1H2,2-3H3,(H2,7,8,9).
What are the key properties of N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide?
N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 176529851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).