2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine

C12H19N5O — CID 135433199

IUPAC2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
SMILESCCN(CC)c1ccc(/C=N/N=C(N)N)c(O)c1
InChIInChI=1S/C12H19N5O/c1-3-17(4-2)10-6-5-9(11(18)7-10)8-15-16-12(13)14/h5-8,18H,3-4H2,1-2H3,(H4,13,14,16)/b15-8+
InChIKeyCUTOJOYRQDEGLS-OVCLIPMQSA-N
MW249.32 g/mol
LogP0.85
Rot. Bonds5

About 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine

2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine (PubChem CID 135433199) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
PubChem CID135433199
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
SMILESCCN(CC)c1ccc(/C=N/N=C(N)N)c(O)c1
InChIInChI=1S/C12H19N5O/c1-3-17(4-2)10-6-5-9(11(18)7-10)8-15-16-12(13)14/h5-8,18H,3-4H2,1-2H3,(H4,13,14,16)/b15-8+
InChIKeyCUTOJOYRQDEGLS-OVCLIPMQSA-N
XLogP0.85
TPSA100.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

5-(Diethylamino)-2-{[(2,4-dimethylphenyl)imino]methyl}phenol
CID 785653
5-(Diethylamino)-2-({[4-(4-methylbenzyl)-1-piperazinyl]imino}methyl)phenol
CID 135501758
5-(diethylamino)-2-[(E)-{[4-(diethylamino)phenyl]imino}methyl]phenol
CID 692801
[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135435710
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-5-(diethylamino)phenol
CID 135449202
(6E)-6-{[(2E)-2-{[4-(Dimethylamino)phenyl]methylidene}hydrazinyl]methylidene}cyclohexa-2,4-dien-1-one
CID 135497951
5-(Diethylamino)-2-[(phenylimino)methyl]phenol
CID 641174
5-(Diethylamino)-2-{[(2,5-dimethylphenyl)imino]methyl}phenol
CID 687016
5-(Diethylamino)-2-({[4-(dimethylamino)phenyl]imino}methyl)phenol
CID 794739
N'-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylidene]ethoxycarbohydrazide
CID 135401245
2-[(E)-(benzhydrylidenehydrazinylidene)methyl]-5-(diethylamino)phenol
CID 135401259
5-(diethylamino)-2-[(E)-morpholin-4-yliminomethyl]phenol
CID 135401271

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine (CID 135433199) is 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine is CCN(CC)c1ccc(/C=N/N=C(N)N)c(O)c1.
What is the InChIKey of 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine?
The InChIKey is CUTOJOYRQDEGLS-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-17(4-2)10-6-5-9(11(18)7-10)8-15-16-12(13)14/h5-8,18H,3-4H2,1-2H3,(H4,13,14,16)/b15-8+.
What are the key properties of 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine?
2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine has a molecular weight of 249.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine is sourced from PubChem (CID 135433199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).