N-(2,5-diamino-5-iminopentyl)acetamide

C7H16N4O — CID 122547937

IUPACN-(2,5-diamino-5-iminopentyl)acetamide
SMILES[H]/N=C(\N)CCC(N)CNC(C)=O
InChIInChI=1S/C7H16N4O/c1-5(12)11-4-6(8)2-3-7(9)10/h6H,2-4,8H2,1H3,(H3,9,10)(H,11,12)
InChIKeyLPGIRHXHYCJUBJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.83
Rot. Bonds5

About N-(2,5-diamino-5-iminopentyl)acetamide

N-(2,5-diamino-5-iminopentyl)acetamide (PubChem CID 122547937) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(2,5-diamino-5-iminopentyl)acetamide.

Molecular Properties

Compound NameN-(2,5-diamino-5-iminopentyl)acetamide
PubChem CID122547937
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC NameN-(2,5-diamino-5-iminopentyl)acetamide
SMILES[H]/N=C(\N)CCC(N)CNC(C)=O
InChIInChI=1S/C7H16N4O/c1-5(12)11-4-6(8)2-3-7(9)10/h6H,2-4,8H2,1H3,(H3,9,10)(H,11,12)
InChIKeyLPGIRHXHYCJUBJ-UHFFFAOYSA-N
XLogP-0.83
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
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 N-(2,5-diamino-5-iminopentyl)acetamide?
The IUPAC name of N-(2,5-diamino-5-iminopentyl)acetamide (CID 122547937) is N-(2,5-diamino-5-iminopentyl)acetamide.
What is the SMILES notation for N-(2,5-diamino-5-iminopentyl)acetamide?
The canonical SMILES for N-(2,5-diamino-5-iminopentyl)acetamide is [H]/N=C(\N)CCC(N)CNC(C)=O.
What is the InChIKey of N-(2,5-diamino-5-iminopentyl)acetamide?
The InChIKey is LPGIRHXHYCJUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-5(12)11-4-6(8)2-3-7(9)10/h6H,2-4,8H2,1H3,(H3,9,10)(H,11,12).
What are the key properties of N-(2,5-diamino-5-iminopentyl)acetamide?
N-(2,5-diamino-5-iminopentyl)acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diamino-5-iminopentyl)acetamide is sourced from PubChem (CID 122547937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).