3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide

C22H30N4O2 — CID 67069769

IUPAC3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
SMILES[H]/N=C(\N)CCc1ccc(OCCCCOc2ccc(CC/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C22H30N4O2/c23-21(24)13-7-17-3-9-19(10-4-17)27-15-1-2-16-28-20-11-5-18(6-12-20)8-14-22(25)26/h3-6,9-12H,1-2,7-8,13-16H2,(H3,23,24)(H3,25,26)
InChIKeyWTERQJSRCHJTBV-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.66
Rot. Bonds13

About 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide

3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide (PubChem CID 67069769) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide.

Molecular Properties

Compound Name3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
PubChem CID67069769
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
SMILES[H]/N=C(\N)CCc1ccc(OCCCCOc2ccc(CC/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C22H30N4O2/c23-21(24)13-7-17-3-9-19(10-4-17)27-15-1-2-16-28-20-11-5-18(6-12-20)8-14-22(25)26/h3-6,9-12H,1-2,7-8,13-16H2,(H3,23,24)(H3,25,26)
InChIKeyWTERQJSRCHJTBV-UHFFFAOYSA-N
XLogP3.66
TPSA118.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.66
H-Bond Donors ≤ 54
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'}

Analyze 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide 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

4-(4-ethoxyphenoxy)butanimidamide
CID 24707603
3-(4-benzylphenoxy)propanimidamide
CID 62274046
5-[4-(trifluoromethyl)phenoxy]pentanimidamide
CID 54966069
4-[4-[[4-(4-iminopentyl)phenoxy]methoxy]phenyl]butanimidamide
CID 90128678
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
3-(4-methylphenyl)propanimidamide;hydrochloride
CID 69159205
5-[4-(2-aminoethyl)phenoxy]pentanamide
CID 114281504
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-(4-ethylphenoxy)ethanimidamide
CID 24709698
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide?
The IUPAC name of 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide (CID 67069769) is 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide.
What is the SMILES notation for 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide?
The canonical SMILES for 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide is [H]/N=C(\N)CCc1ccc(OCCCCOc2ccc(CC/C(N)=N/[H])cc2)cc1.
What is the InChIKey of 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide?
The InChIKey is WTERQJSRCHJTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c23-21(24)13-7-17-3-9-19(10-4-17)27-15-1-2-16-28-20-11-5-18(6-12-20)8-14-22(25)26/h3-6,9-12H,1-2,7-8,13-16H2,(H3,23,24)(H3,25,26).
What are the key properties of 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide?
3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide has a molecular weight of 382.51 g/mol, XLogP of 3.66, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide is sourced from PubChem (CID 67069769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).