N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide

C7H14N4 — CID 123284395

IUPACN'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide
SMILESC=NCN=C(N)N1CCCC1
InChIInChI=1S/C7H14N4/c1-9-6-10-7(8)11-4-2-3-5-11/h1-6H2,(H2,8,10)
InChIKeyQFGPYUCFDGIZBY-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.05
Rot. Bonds2

About N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide

N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide (PubChem CID 123284395) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide
PubChem CID123284395
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide
SMILESC=NCN=C(N)N1CCCC1
InChIInChI=1S/C7H14N4/c1-9-6-10-7(8)11-4-2-3-5-11/h1-6H2,(H2,8,10)
InChIKeyQFGPYUCFDGIZBY-UHFFFAOYSA-N
XLogP0.05
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.05
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'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide (CID 123284395) is N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide is C=NCN=C(N)N1CCCC1.
What is the InChIKey of N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is QFGPYUCFDGIZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-9-6-10-7(8)11-4-2-3-5-11/h1-6H2,(H2,8,10).
What are the key properties of N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide?
N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 154.22 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(methylideneamino)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 123284395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).