1-amino-1-pentylguanidine

C6H16N4 — CID 53420873

IUPAC1-amino-1-pentylguanidine
SMILES[H]/N=C(\N)N(N)CCCCC
InChIInChI=1S/C6H16N4/c1-2-3-4-5-10(9)6(7)8/h2-5,9H2,1H3,(H3,7,8)
InChIKeyYLOJUSNHIZMXQA-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.25
Rot. Bonds4

About 1-amino-1-pentylguanidine

1-amino-1-pentylguanidine (PubChem CID 53420873) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-amino-1-pentylguanidine.

Molecular Properties

Compound Name1-amino-1-pentylguanidine
PubChem CID53420873
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name1-amino-1-pentylguanidine
SMILES[H]/N=C(\N)N(N)CCCCC
InChIInChI=1S/C6H16N4/c1-2-3-4-5-10(9)6(7)8/h2-5,9H2,1H3,(H3,7,8)
InChIKeyYLOJUSNHIZMXQA-UHFFFAOYSA-N
XLogP0.25
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-pentylguanidine?
The IUPAC name of 1-amino-1-pentylguanidine (CID 53420873) is 1-amino-1-pentylguanidine.
What is the SMILES notation for 1-amino-1-pentylguanidine?
The canonical SMILES for 1-amino-1-pentylguanidine is [H]/N=C(\N)N(N)CCCCC.
What is the InChIKey of 1-amino-1-pentylguanidine?
The InChIKey is YLOJUSNHIZMXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-2-3-4-5-10(9)6(7)8/h2-5,9H2,1H3,(H3,7,8).
What are the key properties of 1-amino-1-pentylguanidine?
1-amino-1-pentylguanidine has a molecular weight of 144.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-pentylguanidine is sourced from PubChem (CID 53420873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).