5-aminopentanimidamide

C5H13N3 — CID 79496527

IUPAC5-aminopentanimidamide
SMILES[H]/N=C(\N)CCCCN
InChIInChI=1S/C5H13N3/c6-4-2-1-3-5(7)8/h1-4,6H2,(H3,7,8)
InChIKeyMOATUNIZJAXRFH-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.05
Rot. Bonds4

About 5-aminopentanimidamide

5-aminopentanimidamide (PubChem CID 79496527) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 5-aminopentanimidamide.

Molecular Properties

Compound Name5-aminopentanimidamide
PubChem CID79496527
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name5-aminopentanimidamide
SMILES[H]/N=C(\N)CCCCN
InChIInChI=1S/C5H13N3/c6-4-2-1-3-5(7)8/h1-4,6H2,(H3,7,8)
InChIKeyMOATUNIZJAXRFH-UHFFFAOYSA-N
XLogP0.05
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-aminopentanimidamide?
The IUPAC name of 5-aminopentanimidamide (CID 79496527) is 5-aminopentanimidamide.
What is the SMILES notation for 5-aminopentanimidamide?
The canonical SMILES for 5-aminopentanimidamide is [H]/N=C(\N)CCCCN.
What is the InChIKey of 5-aminopentanimidamide?
The InChIKey is MOATUNIZJAXRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c6-4-2-1-3-5(7)8/h1-4,6H2,(H3,7,8).
What are the key properties of 5-aminopentanimidamide?
5-aminopentanimidamide has a molecular weight of 115.18 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentanimidamide is sourced from PubChem (CID 79496527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).