1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine

C6H14N4O — CID 172939717

IUPAC1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine
SMILESCC(C)C/C=N/N=C(N)NO
InChIInChI=1S/C6H14N4O/c1-5(2)3-4-8-9-6(7)10-11/h4-5,11H,3H2,1-2H3,(H3,7,9,10)/b8-4+
InChIKeyDKYSULKPMUVMSA-XBXARRHUSA-N
MW158.21 g/mol
LogP0.31
Rot. Bonds3

About 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine

1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine (PubChem CID 172939717) has the molecular formula C6H14N4O and a molecular weight of 158.21 g/mol. Its IUPAC name is 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine
PubChem CID172939717
Molecular FormulaC6H14N4O
Molecular Weight158.21 g/mol
Exact Mass158.12
IUPAC Name1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine
SMILESCC(C)C/C=N/N=C(N)NO
InChIInChI=1S/C6H14N4O/c1-5(2)3-4-8-9-6(7)10-11/h4-5,11H,3H2,1-2H3,(H3,7,9,10)/b8-4+
InChIKeyDKYSULKPMUVMSA-XBXARRHUSA-N
XLogP0.31
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine?
The IUPAC name of 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine (CID 172939717) is 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine?
The canonical SMILES for 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine is CC(C)C/C=N/N=C(N)NO.
What is the InChIKey of 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine?
The InChIKey is DKYSULKPMUVMSA-XBXARRHUSA-N. The full InChI is InChI=1S/C6H14N4O/c1-5(2)3-4-8-9-6(7)10-11/h4-5,11H,3H2,1-2H3,(H3,7,9,10)/b8-4+.
What are the key properties of 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine?
1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine has a molecular weight of 158.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(E)-3-methylbutylideneamino]guanidine is sourced from PubChem (CID 172939717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).