1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine

C7H14N4 — CID 174194521

IUPAC1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine
SMILES[H]/N=C(\C=C/N)N1CCC(N)C1
InChIInChI=1S/C7H14N4/c8-3-1-7(10)11-4-2-6(9)5-11/h1,3,6,10H,2,4-5,8-9H2/b3-1-,10-7+
InChIKeyJBIRODNJMHROPY-CDERUAIMSA-N
MW154.22 g/mol
LogP-0.53
Rot. Bonds1

About 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine

1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine (PubChem CID 174194521) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine
PubChem CID174194521
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine
SMILES[H]/N=C(\C=C/N)N1CCC(N)C1
InChIInChI=1S/C7H14N4/c8-3-1-7(10)11-4-2-6(9)5-11/h1,3,6,10H,2,4-5,8-9H2/b3-1-,10-7+
InChIKeyJBIRODNJMHROPY-CDERUAIMSA-N
XLogP-0.53
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine (CID 174194521) is 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine is [H]/N=C(\C=C/N)N1CCC(N)C1.
What is the InChIKey of 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine?
The InChIKey is JBIRODNJMHROPY-CDERUAIMSA-N. The full InChI is InChI=1S/C7H14N4/c8-3-1-7(10)11-4-2-6(9)5-11/h1,3,6,10H,2,4-5,8-9H2/b3-1-,10-7+.
What are the key properties of 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine?
1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine has a molecular weight of 154.22 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-aminoprop-2-enimidoyl]pyrrolidin-3-amine is sourced from PubChem (CID 174194521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).