1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine

C19H25N7O2 — CID 137175133

IUPAC1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
SMILESCN(C)c1ccc(/C=N/N=C(\N)N/N=C/c2ccc(N(C)C)cc2O)c(O)c1
InChIInChI=1S/C19H25N7O2/c1-25(2)15-7-5-13(17(27)9-15)11-21-23-19(20)24-22-12-14-6-8-16(26(3)4)10-18(14)28/h5-12,27-28H,1-4H3,(H3,20,23,24)/b21-11+,22-12+
InChIKeyXWMMZWQXGGEKHF-XHQRYOPUSA-N
MW383.46 g/mol
LogP1.50
Rot. Bonds6

About 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine

1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine (PubChem CID 137175133) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
PubChem CID137175133
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
SMILESCN(C)c1ccc(/C=N/N=C(\N)N/N=C/c2ccc(N(C)C)cc2O)c(O)c1
InChIInChI=1S/C19H25N7O2/c1-25(2)15-7-5-13(17(27)9-15)11-21-23-19(20)24-22-12-14-6-8-16(26(3)4)10-18(14)28/h5-12,27-28H,1-4H3,(H3,20,23,24)/b21-11+,22-12+
InChIKeyXWMMZWQXGGEKHF-XHQRYOPUSA-N
XLogP1.50
TPSA122.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine (CID 137175133) is 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine is CN(C)c1ccc(/C=N/N=C(\N)N/N=C/c2ccc(N(C)C)cc2O)c(O)c1.
What is the InChIKey of 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine?
The InChIKey is XWMMZWQXGGEKHF-XHQRYOPUSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-25(2)15-7-5-13(17(27)9-15)11-21-23-19(20)24-22-12-14-6-8-16(26(3)4)10-18(14)28/h5-12,27-28H,1-4H3,(H3,20,23,24)/b21-11+,22-12+.
What are the key properties of 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine?
1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine has a molecular weight of 383.46 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 137175133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).