2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine

C10H15N5O — CID 11333515

IUPAC2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine
SMILESCN(C)c1ccc(/C=N/N=C(\N)NO)cc1
InChIInChI=1S/C10H15N5O/c1-15(2)9-5-3-8(4-6-9)7-12-13-10(11)14-16/h3-7,16H,1-2H3,(H3,11,13,14)/b12-7+
InChIKeyAAYSDCIYVWYHRA-KPKJPENVSA-N
MW221.26 g/mol
LogP0.38
Rot. Bonds3

About 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine

2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine (PubChem CID 11333515) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine
PubChem CID11333515
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine
SMILESCN(C)c1ccc(/C=N/N=C(\N)NO)cc1
InChIInChI=1S/C10H15N5O/c1-15(2)9-5-3-8(4-6-9)7-12-13-10(11)14-16/h3-7,16H,1-2H3,(H3,11,13,14)/b12-7+
InChIKeyAAYSDCIYVWYHRA-KPKJPENVSA-N
XLogP0.38
TPSA86.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

4-Diethylaminobenzaldoxime (mixture of isomers)
CID 6876690
p-(Dimethylamino)benzaldehyde oxime
CID 6861449
4-(Dimethylamino)benzaldehyde ((4-(dimethylamino)phenyl)methylene)hydrazone
CID 6863007
N-[p-(Dimethylamino)benzylidene]aniline
CID 234157
4-(Dimethylamino)benzaldehyde thiosemicarbazone
CID 6436743
2-[(E)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]guanidine
CID 9600579
4-[(Z)-{[(1E)-1-(hydroxyimino)-2-methylpropan-2-yl](oxido)-lambda~5~-azanylidene}methyl]-N,N-dimethylaniline
CID 5332866
Benzenamine, N,N-dimethyl-4-[[(4-methylphenyl)imino]methyl]-
CID 915196
Hydrazinecarboximidamide, 2-[[4-(dimethylamino)P
CID 6058241
N,N-dimethyl-4-[(1E)-2,2,2-trifluoro-N-hydroxyethanimidoyl]aniline
CID 5405704
N'-hydroxy-2-piperidinobenzenecarboximidamide
CID 9581944
Benzaldehyde, p-dimethylamino-, 3-thiosemicarbazone
CID 5390234

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine (CID 11333515) is 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine is CN(C)c1ccc(/C=N/N=C(\N)NO)cc1.
What is the InChIKey of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine?
The InChIKey is AAYSDCIYVWYHRA-KPKJPENVSA-N. The full InChI is InChI=1S/C10H15N5O/c1-15(2)9-5-3-8(4-6-9)7-12-13-10(11)14-16/h3-7,16H,1-2H3,(H3,11,13,14)/b12-7+.
What are the key properties of 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine?
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine has a molecular weight of 221.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 11333515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).