4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide

C19H26N4O2 — CID 146331992

IUPAC4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C(N)N)cc2)cc1
InChIInChI=1S/C19H26N4O2/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/h4-11,18H,1-3,12-13,20-21H2,(H3,22,23)
InChIKeyGGUXOKILXUTYII-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.51
Rot. Bonds10

About 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide

4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide (PubChem CID 146331992) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
PubChem CID146331992
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C(N)N)cc2)cc1
InChIInChI=1S/C19H26N4O2/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/h4-11,18H,1-3,12-13,20-21H2,(H3,22,23)
InChIKeyGGUXOKILXUTYII-UHFFFAOYSA-N
XLogP2.51
TPSA120.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
4-octoxybenzenecarboximidamide
CID 3302492
[4-[6-[4-(diaminomethyl)phenoxy]hexoxy]phenyl]methanediamine
CID 100964833
4-butoxybenzenecarboximidamide
CID 3015454
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 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide?
The IUPAC name of 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide (CID 146331992) is 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide?
The canonical SMILES for 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C(N)N)cc2)cc1.
What is the InChIKey of 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide?
The InChIKey is GGUXOKILXUTYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/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/h4-11,18H,1-3,12-13,20-21H2,(H3,22,23).
What are the key properties of 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide?
4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide has a molecular weight of 342.44 g/mol, XLogP of 2.51, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide is sourced from PubChem (CID 146331992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).