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

C8H19N5O — CID 83036993

IUPAC1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine
SMILESCCC(CCO)C/N=C(\N)N=C(N)N
InChIInChI=1S/C8H19N5O/c1-2-6(3-4-14)5-12-8(11)13-7(9)10/h6,14H,2-5H2,1H3,(H6,9,10,11,12,13)
InChIKeyUDDMEUHRUCYPNH-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.02
Rot. Bonds5

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

1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine (PubChem CID 83036993) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine
PubChem CID83036993
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine
SMILESCCC(CCO)C/N=C(\N)N=C(N)N
InChIInChI=1S/C8H19N5O/c1-2-6(3-4-14)5-12-8(11)13-7(9)10/h6,14H,2-5H2,1H3,(H6,9,10,11,12,13)
InChIKeyUDDMEUHRUCYPNH-UHFFFAOYSA-N
XLogP-1.02
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
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 1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine (CID 83036993) is 1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine is CCC(CCO)C/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine?
The InChIKey is UDDMEUHRUCYPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-2-6(3-4-14)5-12-8(11)13-7(9)10/h6,14H,2-5H2,1H3,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine?
1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine has a molecular weight of 201.27 g/mol, XLogP of -1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-ethyl-4-hydroxybutyl)guanidine is sourced from PubChem (CID 83036993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).