N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane

C26H43N5 — CID 143092448

IUPACN'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane
SMILESCC.CCCC.Cc1ccc(/C(N)=N/CCCCC/N=C(\N)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H27N5.C4H10.C2H6/c1-15-5-7-16(8-6-15)19(22)24-13-3-2-4-14-25-20(23)17-9-11-18(21)12-10-17;1-3-4-2;1-2/h5-12H,2-4,13-14,21H2,1H3,(H2,22,24)(H2,23,25);3-4H2,1-2H3;1-2H3
InChIKeyMIALGZDILYRDEG-UHFFFAOYSA-N
MW425.67 g/mol
LogP5.69
Rot. Bonds9

About N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane

N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane (PubChem CID 143092448) has the molecular formula C26H43N5 and a molecular weight of 425.67 g/mol. Its IUPAC name is N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane.

Molecular Properties

Compound NameN'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane
PubChem CID143092448
Molecular FormulaC26H43N5
Molecular Weight425.67 g/mol
Exact Mass425.35
IUPAC NameN'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane
SMILESCC.CCCC.Cc1ccc(/C(N)=N/CCCCC/N=C(\N)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H27N5.C4H10.C2H6/c1-15-5-7-16(8-6-15)19(22)24-13-3-2-4-14-25-20(23)17-9-11-18(21)12-10-17;1-3-4-2;1-2/h5-12H,2-4,13-14,21H2,1H3,(H2,22,24)(H2,23,25);3-4H2,1-2H3;1-2H3
InChIKeyMIALGZDILYRDEG-UHFFFAOYSA-N
XLogP5.69
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.67
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane?
The IUPAC name of N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane (CID 143092448) is N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane.
What is the SMILES notation for N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane?
The canonical SMILES for N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane is CC.CCCC.Cc1ccc(/C(N)=N/CCCCC/N=C(\N)c2ccc(N)cc2)cc1.
What is the InChIKey of N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane?
The InChIKey is MIALGZDILYRDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5.C4H10.C2H6/c1-15-5-7-16(8-6-15)19(22)24-13-3-2-4-14-25-20(23)17-9-11-18(21)12-10-17;1-3-4-2;1-2/h5-12H,2-4,13-14,21H2,1H3,(H2,22,24)(H2,23,25);3-4H2,1-2H3;1-2H3.
What are the key properties of N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane?
N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane has a molecular weight of 425.67 g/mol, XLogP of 5.69, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[[amino-(4-aminophenyl)methylidene]amino]pentyl]-4-methylbenzenecarboximidamide;butane;ethane is sourced from PubChem (CID 143092448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).