N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide

C6H11N3 — CID 167106240

IUPACN'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide
SMILESC/C=N/C=N/C(C)=C/N
InChIInChI=1S/C6H11N3/c1-3-8-5-9-6(2)4-7/h3-5H,7H2,1-2H3/b6-4+,8-3+,9-5+
InChIKeyOCCVZBWYZNUCQT-NBGQXYLQSA-N
MW125.17 g/mol
LogP0.93
Rot. Bonds2

About N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide

N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide (PubChem CID 167106240) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide
PubChem CID167106240
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide
SMILESC/C=N/C=N/C(C)=C/N
InChIInChI=1S/C6H11N3/c1-3-8-5-9-6(2)4-7/h3-5H,7H2,1-2H3/b6-4+,8-3+,9-5+
InChIKeyOCCVZBWYZNUCQT-NBGQXYLQSA-N
XLogP0.93
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
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'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide?
The IUPAC name of N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide (CID 167106240) is N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide.
What is the SMILES notation for N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide?
The canonical SMILES for N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide is C/C=N/C=N/C(C)=C/N.
What is the InChIKey of N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide?
The InChIKey is OCCVZBWYZNUCQT-NBGQXYLQSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-8-5-9-6(2)4-7/h3-5H,7H2,1-2H3/b6-4+,8-3+,9-5+.
What are the key properties of N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide?
N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide is sourced from PubChem (CID 167106240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).