1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine

C8H19N5O — CID 130601326

IUPAC1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine
SMILESCC(C)C(C)(O)C/N=C(\N)N=C(N)N
InChIInChI=1S/C8H19N5O/c1-5(2)8(3,14)4-12-7(11)13-6(9)10/h5,14H,4H2,1-3H3,(H6,9,10,11,12,13)
InChIKeyMREOWSVKJAZVBP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.02
Rot. Bonds3

About 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine

1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine (PubChem CID 130601326) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine
PubChem CID130601326
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine
SMILESCC(C)C(C)(O)C/N=C(\N)N=C(N)N
InChIInChI=1S/C8H19N5O/c1-5(2)8(3,14)4-12-7(11)13-6(9)10/h5,14H,4H2,1-3H3,(H6,9,10,11,12,13)
InChIKeyMREOWSVKJAZVBP-UHFFFAOYSA-N
XLogP-1.02
TPSA123.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-[(2R)-2-hydroxy-2-methylbutyl]guanidine
CID 118327844
2-(2-Ethyl-2-hydroxybutyl)guanidine
CID 62405699
2-(2-Hydroxy-2-methylbutyl)guanidine
CID 62998884
2-(2-Hydroxy-2,4-dimethylpentyl)guanidine
CID 66171670
1-(Diaminomethylidene)-2-(2-hydroxy-2,4-dimethylpentyl)guanidine
CID 83034641
1-(Diaminomethylidene)-2-(2-hydroxy-2-methylbutyl)guanidine
CID 83036785
1-(Diaminomethylidene)-2-(2-ethyl-2-hydroxybutyl)guanidine
CID 83036786
1-(Diaminomethylidene)-2-(3-hydroxy-2,3-dimethylbutan-2-yl)guanidine
CID 106190237
1-(Diaminomethylidene)-2-(2-hydroxy-2-methylpentyl)guanidine
CID 106293257
1-(Diaminomethylidene)-2-(3-hydroxy-3-methylbutyl)guanidine
CID 130570567
2-(2-Cyclopropyl-2-hydroxypropyl)-1-(diaminomethylidene)guanidine
CID 130601328

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine (CID 130601326) is 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine is CC(C)C(C)(O)C/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine?
The InChIKey is MREOWSVKJAZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O/c1-5(2)8(3,14)4-12-7(11)13-6(9)10/h5,14H,4H2,1-3H3,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine?
1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine has a molecular weight of 201.27 g/mol, XLogP of -1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine is sourced from PubChem (CID 130601326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).