1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine

C8H19N5O — CID 106190237

IUPAC1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine
SMILESCC(C)(O)C(C)(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C8H19N5O/c1-7(2,8(3,4)14)13-6(11)12-5(9)10/h14H,1-4H3,(H6,9,10,11,12,13)
InChIKeySTIBOSIVSNPBLY-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.88
Rot. Bonds2

About 1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine

1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine (PubChem CID 106190237) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine
PubChem CID106190237
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine
SMILESCC(C)(O)C(C)(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C8H19N5O/c1-7(2,8(3,4)14)13-6(11)12-5(9)10/h14H,1-4H3,(H6,9,10,11,12,13)
InChIKeySTIBOSIVSNPBLY-UHFFFAOYSA-N
XLogP-0.88
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.88
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-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine (CID 106190237) is 1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine is CC(C)(O)C(C)(C)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine?
The InChIKey is STIBOSIVSNPBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-7(2,8(3,4)14)13-6(11)12-5(9)10/h14H,1-4H3,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine?
1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine has a molecular weight of 201.27 g/mol, XLogP of -0.88, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine is sourced from PubChem (CID 106190237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).