N'-aminopyrrolidine-2-carboximidamide

C5H12N4 — CID 123528799

IUPACN'-aminopyrrolidine-2-carboximidamide
SMILESNN=C(N)C1CCCN1
InChIInChI=1S/C5H12N4/c6-5(9-7)4-2-1-3-8-4/h4,8H,1-3,7H2,(H2,6,9)
InChIKeyYJBNGBMJZIZQOO-UHFFFAOYSA-N
MW128.18 g/mol
LogP-1.03
Rot. Bonds1

About N'-aminopyrrolidine-2-carboximidamide

N'-aminopyrrolidine-2-carboximidamide (PubChem CID 123528799) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is N'-aminopyrrolidine-2-carboximidamide.

Molecular Properties

Compound NameN'-aminopyrrolidine-2-carboximidamide
PubChem CID123528799
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC NameN'-aminopyrrolidine-2-carboximidamide
SMILESNN=C(N)C1CCCN1
InChIInChI=1S/C5H12N4/c6-5(9-7)4-2-1-3-8-4/h4,8H,1-3,7H2,(H2,6,9)
InChIKeyYJBNGBMJZIZQOO-UHFFFAOYSA-N
XLogP-1.03
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-aminopyrrolidine-2-carboximidamide?
The IUPAC name of N'-aminopyrrolidine-2-carboximidamide (CID 123528799) is N'-aminopyrrolidine-2-carboximidamide.
What is the SMILES notation for N'-aminopyrrolidine-2-carboximidamide?
The canonical SMILES for N'-aminopyrrolidine-2-carboximidamide is NN=C(N)C1CCCN1.
What is the InChIKey of N'-aminopyrrolidine-2-carboximidamide?
The InChIKey is YJBNGBMJZIZQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c6-5(9-7)4-2-1-3-8-4/h4,8H,1-3,7H2,(H2,6,9).
What are the key properties of N'-aminopyrrolidine-2-carboximidamide?
N'-aminopyrrolidine-2-carboximidamide has a molecular weight of 128.18 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminopyrrolidine-2-carboximidamide is sourced from PubChem (CID 123528799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).