N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide

C5H11N3 — CID 88893590

IUPACN'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide
SMILESCN/C=C(C)\N=C\N
InChIInChI=1S/C5H11N3/c1-5(3-7-2)8-4-6/h3-4,7H,1-2H3,(H2,6,8)/b5-3-
InChIKeyMKDONZMAXJTQGV-HYXAFXHYSA-N
MW113.16 g/mol
LogP0.05
Rot. Bonds2

About N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide

N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide (PubChem CID 88893590) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide
PubChem CID88893590
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide
SMILESCN/C=C(C)\N=C\N
InChIInChI=1S/C5H11N3/c1-5(3-7-2)8-4-6/h3-4,7H,1-2H3,(H2,6,8)/b5-3-
InChIKeyMKDONZMAXJTQGV-HYXAFXHYSA-N
XLogP0.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.05
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'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide (CID 88893590) is N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide is CN/C=C(C)\N=C\N.
What is the InChIKey of N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide?
The InChIKey is MKDONZMAXJTQGV-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H11N3/c1-5(3-7-2)8-4-6/h3-4,7H,1-2H3,(H2,6,8)/b5-3-.
What are the key properties of N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide?
N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide is sourced from PubChem (CID 88893590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).