2-amino-N-(4-aminopent-4-enyl)acetamide

C7H15N3O — CID 126589643

IUPAC2-amino-N-(4-aminopent-4-enyl)acetamide
SMILESC=C(N)CCCNC(=O)CN
InChIInChI=1S/C7H15N3O/c1-6(9)3-2-4-10-7(11)5-8/h1-5,8-9H2,(H,10,11)
InChIKeyAUIOKGYEVRHBOD-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.69
Rot. Bonds5

About 2-amino-N-(4-aminopent-4-enyl)acetamide

2-amino-N-(4-aminopent-4-enyl)acetamide (PubChem CID 126589643) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-amino-N-(4-aminopent-4-enyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-aminopent-4-enyl)acetamide
PubChem CID126589643
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-amino-N-(4-aminopent-4-enyl)acetamide
SMILESC=C(N)CCCNC(=O)CN
InChIInChI=1S/C7H15N3O/c1-6(9)3-2-4-10-7(11)5-8/h1-5,8-9H2,(H,10,11)
InChIKeyAUIOKGYEVRHBOD-UHFFFAOYSA-N
XLogP-0.69
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-aminopent-4-enyl)acetamide?
The IUPAC name of 2-amino-N-(4-aminopent-4-enyl)acetamide (CID 126589643) is 2-amino-N-(4-aminopent-4-enyl)acetamide.
What is the SMILES notation for 2-amino-N-(4-aminopent-4-enyl)acetamide?
The canonical SMILES for 2-amino-N-(4-aminopent-4-enyl)acetamide is C=C(N)CCCNC(=O)CN.
What is the InChIKey of 2-amino-N-(4-aminopent-4-enyl)acetamide?
The InChIKey is AUIOKGYEVRHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-6(9)3-2-4-10-7(11)5-8/h1-5,8-9H2,(H,10,11).
What are the key properties of 2-amino-N-(4-aminopent-4-enyl)acetamide?
2-amino-N-(4-aminopent-4-enyl)acetamide has a molecular weight of 157.22 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-aminopent-4-enyl)acetamide is sourced from PubChem (CID 126589643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).