3-aminopentanimidamide

C5H13N3 — CID 79498775

IUPAC3-aminopentanimidamide
SMILES[H]/N=C(\N)CC(N)CC
InChIInChI=1S/C5H13N3/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H3,7,8)
InChIKeyJIYUVYWEUJVNPU-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.05
Rot. Bonds3

About 3-aminopentanimidamide

3-aminopentanimidamide (PubChem CID 79498775) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-aminopentanimidamide.

Molecular Properties

Compound Name3-aminopentanimidamide
PubChem CID79498775
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name3-aminopentanimidamide
SMILES[H]/N=C(\N)CC(N)CC
InChIInChI=1S/C5H13N3/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H3,7,8)
InChIKeyJIYUVYWEUJVNPU-UHFFFAOYSA-N
XLogP0.05
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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': '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 3-aminopentanimidamide?
The IUPAC name of 3-aminopentanimidamide (CID 79498775) is 3-aminopentanimidamide.
What is the SMILES notation for 3-aminopentanimidamide?
The canonical SMILES for 3-aminopentanimidamide is [H]/N=C(\N)CC(N)CC.
What is the InChIKey of 3-aminopentanimidamide?
The InChIKey is JIYUVYWEUJVNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H3,7,8).
What are the key properties of 3-aminopentanimidamide?
3-aminopentanimidamide has a molecular weight of 115.18 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopentanimidamide is sourced from PubChem (CID 79498775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).