1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine

C6H15N5O — CID 23103910

IUPAC1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine
SMILESNC(N)=N/C(N)=N/CCCCO
InChIInChI=1S/C6H15N5O/c7-5(8)11-6(9)10-3-1-2-4-12/h12H,1-4H2,(H6,7,8,9,10,11)
InChIKeyRGBGDOHUMSLZJM-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.65
Rot. Bonds4

About 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine

1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine (PubChem CID 23103910) has the molecular formula C6H15N5O and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine
PubChem CID23103910
Molecular FormulaC6H15N5O
Molecular Weight173.22 g/mol
Exact Mass173.13
IUPAC Name1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine
SMILESNC(N)=N/C(N)=N/CCCCO
InChIInChI=1S/C6H15N5O/c7-5(8)11-6(9)10-3-1-2-4-12/h12H,1-4H2,(H6,7,8,9,10,11)
InChIKeyRGBGDOHUMSLZJM-UHFFFAOYSA-N
XLogP-1.65
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
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'}

Analyze 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine (CID 23103910) is 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine is NC(N)=N/C(N)=N/CCCCO.
What is the InChIKey of 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine?
The InChIKey is RGBGDOHUMSLZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5O/c7-5(8)11-6(9)10-3-1-2-4-12/h12H,1-4H2,(H6,7,8,9,10,11).
What are the key properties of 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine?
1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine has a molecular weight of 173.22 g/mol, XLogP of -1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(4-hydroxybutyl)guanidine is sourced from PubChem (CID 23103910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).