4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide

C8H15N3O — CID 79207691

IUPAC4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
SMILESNCCNC(=O)C1C=CC(N)C1
InChIInChI=1S/C8H15N3O/c9-3-4-11-8(12)6-1-2-7(10)5-6/h1-2,6-7H,3-5,9-10H2,(H,11,12)
InChIKeyYNICRCATXVFTHH-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.04
Rot. Bonds3

About 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207691) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79207691
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
SMILESNCCNC(=O)C1C=CC(N)C1
InChIInChI=1S/C8H15N3O/c9-3-4-11-8(12)6-1-2-7(10)5-6/h1-2,6-7H,3-5,9-10H2,(H,11,12)
InChIKeyYNICRCATXVFTHH-UHFFFAOYSA-N
XLogP-1.04
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide (CID 79207691) is 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide is NCCNC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is YNICRCATXVFTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-3-4-11-8(12)6-1-2-7(10)5-6/h1-2,6-7H,3-5,9-10H2,(H,11,12).
What are the key properties of 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 169.23 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).