2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine

C14H22N4O2 — CID 11820802

IUPAC2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCCCCCCOc1cccc(/C=N/N=C(\N)NO)c1
InChIInChI=1S/C14H22N4O2/c1-2-3-4-5-9-20-13-8-6-7-12(10-13)11-16-17-14(15)18-19/h6-8,10-11,19H,2-5,9H2,1H3,(H3,15,17,18)/b16-11+
InChIKeyLTCSNHQTFVORSB-LFIBNONCSA-N
MW278.36 g/mol
LogP2.27
Rot. Bonds8

About 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 11820802) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID11820802
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCCCCCCOc1cccc(/C=N/N=C(\N)NO)c1
InChIInChI=1S/C14H22N4O2/c1-2-3-4-5-9-20-13-8-6-7-12(10-13)11-16-17-14(15)18-19/h6-8,10-11,19H,2-5,9H2,1H3,(H3,15,17,18)/b16-11+
InChIKeyLTCSNHQTFVORSB-LFIBNONCSA-N
XLogP2.27
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

Analyze 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine (CID 11820802) is 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine is CCCCCCOc1cccc(/C=N/N=C(\N)NO)c1.
What is the InChIKey of 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is LTCSNHQTFVORSB-LFIBNONCSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-3-4-5-9-20-13-8-6-7-12(10-13)11-16-17-14(15)18-19/h6-8,10-11,19H,2-5,9H2,1H3,(H3,15,17,18)/b16-11+.
What are the key properties of 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 278.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 11820802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).