2-(4-amino-4-hydroxybutyl)guanidine

C5H14N4O — CID 58710762

IUPAC2-(4-amino-4-hydroxybutyl)guanidine
SMILESNC(N)=NCCCC(N)O
InChIInChI=1S/C5H14N4O/c6-4(10)2-1-3-9-5(7)8/h4,10H,1-3,6H2,(H4,7,8,9)
InChIKeyUNYDVJORCYAIQT-UHFFFAOYSA-N
MW146.19 g/mol
LogP-1.68
Rot. Bonds4

About 2-(4-amino-4-hydroxybutyl)guanidine

2-(4-amino-4-hydroxybutyl)guanidine (PubChem CID 58710762) has the molecular formula C5H14N4O and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(4-amino-4-hydroxybutyl)guanidine.

Molecular Properties

Compound Name2-(4-amino-4-hydroxybutyl)guanidine
PubChem CID58710762
Molecular FormulaC5H14N4O
Molecular Weight146.19 g/mol
Exact Mass146.12
IUPAC Name2-(4-amino-4-hydroxybutyl)guanidine
SMILESNC(N)=NCCCC(N)O
InChIInChI=1S/C5H14N4O/c6-4(10)2-1-3-9-5(7)8/h4,10H,1-3,6H2,(H4,7,8,9)
InChIKeyUNYDVJORCYAIQT-UHFFFAOYSA-N
XLogP-1.68
TPSA110.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 2-(4-amino-4-hydroxybutyl)guanidine?
The IUPAC name of 2-(4-amino-4-hydroxybutyl)guanidine (CID 58710762) is 2-(4-amino-4-hydroxybutyl)guanidine.
What is the SMILES notation for 2-(4-amino-4-hydroxybutyl)guanidine?
The canonical SMILES for 2-(4-amino-4-hydroxybutyl)guanidine is NC(N)=NCCCC(N)O.
What is the InChIKey of 2-(4-amino-4-hydroxybutyl)guanidine?
The InChIKey is UNYDVJORCYAIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O/c6-4(10)2-1-3-9-5(7)8/h4,10H,1-3,6H2,(H4,7,8,9).
What are the key properties of 2-(4-amino-4-hydroxybutyl)guanidine?
2-(4-amino-4-hydroxybutyl)guanidine has a molecular weight of 146.19 g/mol, XLogP of -1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-4-hydroxybutyl)guanidine is sourced from PubChem (CID 58710762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).