N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide

C5H9N3 — CID 89362422

IUPACN'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(C)=C\N
InChIInChI=1S/C5H9N3/c1-5(3-6)8-4-7-2/h3-4H,2,6H2,1H3/b5-3-,8-4+
InChIKeyBJVUGQDOKIMKGZ-VOGDQUTBSA-N
MW111.15 g/mol
LogP0.54
Rot. Bonds2

About N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide

N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide (PubChem CID 89362422) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide
PubChem CID89362422
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide
SMILESC=N/C=N/C(C)=C\N
InChIInChI=1S/C5H9N3/c1-5(3-6)8-4-7-2/h3-4H,2,6H2,1H3/b5-3-,8-4+
InChIKeyBJVUGQDOKIMKGZ-VOGDQUTBSA-N
XLogP0.54
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.54
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'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide?
The IUPAC name of N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide (CID 89362422) is N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide.
What is the SMILES notation for N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide?
The canonical SMILES for N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide is C=N/C=N/C(C)=C\N.
What is the InChIKey of N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide?
The InChIKey is BJVUGQDOKIMKGZ-VOGDQUTBSA-N. The full InChI is InChI=1S/C5H9N3/c1-5(3-6)8-4-7-2/h3-4H,2,6H2,1H3/b5-3-,8-4+.
What are the key properties of N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide?
N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide is sourced from PubChem (CID 89362422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).