N'-amino-2-ethylpyrrolidine-1-carboximidamide

C7H16N4 — CID 77053938

IUPACN'-amino-2-ethylpyrrolidine-1-carboximidamide
SMILESCCC1CCCN1C(N)=NN
InChIInChI=1S/C7H16N4/c1-2-6-4-3-5-11(6)7(8)10-9/h6H,2-5,9H2,1H3,(H2,8,10)
InChIKeyPJTUJYCZSGWGFN-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.05
Rot. Bonds1

About N'-amino-2-ethylpyrrolidine-1-carboximidamide

N'-amino-2-ethylpyrrolidine-1-carboximidamide (PubChem CID 77053938) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-amino-2-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-2-ethylpyrrolidine-1-carboximidamide
PubChem CID77053938
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC NameN'-amino-2-ethylpyrrolidine-1-carboximidamide
SMILESCCC1CCCN1C(N)=NN
InChIInChI=1S/C7H16N4/c1-2-6-4-3-5-11(6)7(8)10-9/h6H,2-5,9H2,1H3,(H2,8,10)
InChIKeyPJTUJYCZSGWGFN-UHFFFAOYSA-N
XLogP0.05
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-amino-2-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-amino-2-ethylpyrrolidine-1-carboximidamide (CID 77053938) is N'-amino-2-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-amino-2-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-amino-2-ethylpyrrolidine-1-carboximidamide is CCC1CCCN1C(N)=NN.
What is the InChIKey of N'-amino-2-ethylpyrrolidine-1-carboximidamide?
The InChIKey is PJTUJYCZSGWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-2-6-4-3-5-11(6)7(8)10-9/h6H,2-5,9H2,1H3,(H2,8,10).
What are the key properties of N'-amino-2-ethylpyrrolidine-1-carboximidamide?
N'-amino-2-ethylpyrrolidine-1-carboximidamide has a molecular weight of 156.23 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 77053938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).