(E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide

C7H13N3O — CID 142337016

IUPAC(E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide
SMILES[H]/N=C(/C=C(\C)NCCO)N=C
InChIInChI=1S/C7H13N3O/c1-6(10-3-4-11)5-7(8)9-2/h5,8,10-11H,2-4H2,1H3/b6-5+,8-7-
InChIKeyVJJPTKAFWRACJB-MDAAKZFYSA-N
MW155.20 g/mol
LogP0.15
Rot. Bonds4

About (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide

(E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide (PubChem CID 142337016) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide.

Molecular Properties

Compound Name(E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide
PubChem CID142337016
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide
SMILES[H]/N=C(/C=C(\C)NCCO)N=C
InChIInChI=1S/C7H13N3O/c1-6(10-3-4-11)5-7(8)9-2/h5,8,10-11H,2-4H2,1H3/b6-5+,8-7-
InChIKeyVJJPTKAFWRACJB-MDAAKZFYSA-N
XLogP0.15
TPSA68.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.15
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'}

Analyze (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-but-2-en-2-yl]amino]ethanol
CID 118563699
1,1,1-trifluoro-4-(2-hydroxyethylamino)pent-3-en-2-one
CID 139138861
2-[[(E)-4-methyliminobut-2-en-2-yl]amino]ethanol
CID 90248428
ethyl 3-(2-hydroxyethylamino)but-2-enoate
CID 5235449
(Z)-3-(butylamino)but-2-enimidamide
CID 146481635
2-(prop-1-en-2-ylamino)ethanol
CID 15413083
4-(4-hydroxybutylamino)pent-3-en-2-one
CID 71337879
(Z)-3-(2-fluoropropylamino)but-2-enimidamide
CID 146481550
N-(2-hydroxyethyl)-5-methyl-4-methylidenehexa-2,5-dienamide
CID 123436293
(3E)-4-N-methylidenehepta-3,6-diene-2,4-diimine
CID 123302768
(Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one
CID 5340400
1-(2-hydroxyethyl)-3-(methylideneamino)urea
CID 58331312

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide?
The IUPAC name of (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide (CID 142337016) is (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide.
What is the SMILES notation for (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide?
The canonical SMILES for (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide is [H]/N=C(/C=C(\C)NCCO)N=C.
What is the InChIKey of (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide?
The InChIKey is VJJPTKAFWRACJB-MDAAKZFYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(10-3-4-11)5-7(8)9-2/h5,8,10-11H,2-4H2,1H3/b6-5+,8-7-.
What are the key properties of (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide?
(E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide has a molecular weight of 155.20 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide is sourced from PubChem (CID 142337016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).