N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide

C20H28N8 — CID 69433881

IUPACN-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide
SMILESCC(C/C(=N/c1ccccc1)NN)/N=N/C(C)C/C(=N\c1ccccc1)NN
InChIInChI=1S/C20H28N8/c1-15(13-19(25-21)23-17-9-5-3-6-10-17)27-28-16(2)14-20(26-22)24-18-11-7-4-8-12-18/h3-12,15-16H,13-14,21-22H2,1-2H3,(H,23,25)(H,24,26)/b28-27+
InChIKeyZCXJXOKPTJVVLT-BYYHNAKLSA-N
MW380.50 g/mol
LogP3.38
Rot. Bonds8

About N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide

N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide (PubChem CID 69433881) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide.

Molecular Properties

Compound NameN-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide
PubChem CID69433881
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC NameN-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide
SMILESCC(C/C(=N/c1ccccc1)NN)/N=N/C(C)C/C(=N\c1ccccc1)NN
InChIInChI=1S/C20H28N8/c1-15(13-19(25-21)23-17-9-5-3-6-10-17)27-28-16(2)14-20(26-22)24-18-11-7-4-8-12-18/h3-12,15-16H,13-14,21-22H2,1-2H3,(H,23,25)(H,24,26)/b28-27+
InChIKeyZCXJXOKPTJVVLT-BYYHNAKLSA-N
XLogP3.38
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-amino-2-(2-methylphenyl)-N'-phenylethanimidamide
CID 61363318
3-amino-1,1-bis(2-methylpropyl)-2-phenylguanidine
CID 116513758
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461
N-amino-3-(4-methoxyphenyl)-N'-phenylpropanimidamide
CID 61362567
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
3-amino-1-methyl-1-(4-methylpentan-2-yl)-2-phenylguanidine
CID 116514645
1,1-dichloro-4-methyl-N-phenylpentan-2-imine
CID 15621082
3-amino-1-cyclopropyl-1-ethyl-2-phenylguanidine
CID 116513151
3-amino-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-phenylguanidine
CID 116513793
methyl (2S)-2-hydroxy-4-methoxy-4-phenyliminobutanoate
CID 70109240
3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide
CID 159784015
N-amino-2-methylsulfanyl-N'-phenylbenzenecarboximidamide
CID 79206306

Frequently Asked Questions

What is the IUPAC name of N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide?
The IUPAC name of N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide (CID 69433881) is N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide.
What is the SMILES notation for N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide?
The canonical SMILES for N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide is CC(C/C(=N/c1ccccc1)NN)/N=N/C(C)C/C(=N\c1ccccc1)NN.
What is the InChIKey of N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide?
The InChIKey is ZCXJXOKPTJVVLT-BYYHNAKLSA-N. The full InChI is InChI=1S/C20H28N8/c1-15(13-19(25-21)23-17-9-5-3-6-10-17)27-28-16(2)14-20(26-22)24-18-11-7-4-8-12-18/h3-12,15-16H,13-14,21-22H2,1-2H3,(H,23,25)(H,24,26)/b28-27+.
What are the key properties of N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide?
N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide has a molecular weight of 380.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide is sourced from PubChem (CID 69433881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).