[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium

C19H25N4O2+ — CID 24848374

IUPAC[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1
InChIInChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)/p+1
InChIKeyXDRYMKDFEDOLFX-UHFFFAOYSA-O
MW341.44 g/mol
LogP1.06
Rot. Bonds10

About [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium

[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium (PubChem CID 24848374) has the molecular formula C19H25N4O2+ and a molecular weight of 341.44 g/mol. Its IUPAC name is [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
PubChem CID24848374
Molecular FormulaC19H25N4O2+
Molecular Weight341.44 g/mol
Exact Mass341.20
IUPAC Name[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1
InChIInChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)/p+1
InChIKeyXDRYMKDFEDOLFX-UHFFFAOYSA-O
XLogP1.06
TPSA119.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
[amino-[4-[6-[4-[amino(azaniumylidene)methyl]phenoxy]hexoxy]phenyl]methylidene]azanium
CID 51381298
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-octoxybenzenecarboximidamide
CID 3302492
4-butoxybenzenecarboximidamide
CID 3015454
4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
CID 146331992
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595
4-[5-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]pentoxy]benzenecarboximidamide
CID 59159964

Frequently Asked Questions

What is the IUPAC name of [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium?
The IUPAC name of [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium (CID 24848374) is [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium.
What is the SMILES notation for [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium?
The canonical SMILES for [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium is [H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1.
What is the InChIKey of [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium?
The InChIKey is XDRYMKDFEDOLFX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)/p+1.
What are the key properties of [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium?
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium has a molecular weight of 341.44 g/mol, XLogP of 1.06, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium is sourced from PubChem (CID 24848374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).