benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine

C28H38N6 — CID 145371803

IUPACbenzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(CCCNC23CCC(c4ccccc4)(CC2)CC3)c1N.c1ccccc1
InChIInChI=1S/C22H32N6.C6H6/c23-18-15-16(19(24)20(27-18)28-25)5-4-14-26-22-11-8-21(9-12-22,10-13-22)17-6-2-1-3-7-17;1-2-4-6-5-3-1/h1-3,6-7,15,26H,4-5,8-14,24-25H2,(H3,23,27,28);1-6H
InChIKeyBQVFUONDHMXVKV-UHFFFAOYSA-N
MW458.65 g/mol
LogP4.78
Rot. Bonds7

About benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine

benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine (PubChem CID 145371803) has the molecular formula C28H38N6 and a molecular weight of 458.65 g/mol. Its IUPAC name is benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine.

Molecular Properties

Compound Namebenzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine
PubChem CID145371803
Molecular FormulaC28H38N6
Molecular Weight458.65 g/mol
Exact Mass458.32
IUPAC Namebenzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine
SMILESNNc1nc(N)cc(CCCNC23CCC(c4ccccc4)(CC2)CC3)c1N.c1ccccc1
InChIInChI=1S/C22H32N6.C6H6/c23-18-15-16(19(24)20(27-18)28-25)5-4-14-26-22-11-8-21(9-12-22,10-13-22)17-6-2-1-3-7-17;1-2-4-6-5-3-1/h1-3,6-7,15,26H,4-5,8-14,24-25H2,(H3,23,27,28);1-6H
InChIKeyBQVFUONDHMXVKV-UHFFFAOYSA-N
XLogP4.78
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 54.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine 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

7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
4-[2-(2-Fluorophenyl)-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450742
4-[2-[(2,2-Difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450772
4-[[3-(3-Fluorophenyl)phenyl]methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270362
4-[3-[2,2-Difluoroethyl-(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371760
3-[[3-(3,6-Diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]-(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]-1,1,1-trifluoropropan-2-ol
CID 145371826
4-[3-[[2-(4-Fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371829
6-Hydrazinyl-4-[1-phenyl-3-[[4-phenyl-1-(trifluoromethyl)cyclohexyl]amino]propyl]pyridine-2,5-diamine
CID 145371873
4-[3-[[4-(4-Fluorophenyl)cyclohexyl]amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371933
N-anilino-N'-[6-[(Z)-[phenyl-(2-phenylhydrazinyl)methylidene]amino]-2-pyridinyl]benzenecarboximidamide
CID 134939146
4-[3-(Cyclohexylamino)-1-(3-fluorophenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371924
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;3-phenyldiazenylpyridine-2,6-diamine;dihydrochloride
CID 117595065

Frequently Asked Questions

What is the IUPAC name of benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine?
The IUPAC name of benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine (CID 145371803) is benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine.
What is the SMILES notation for benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine?
The canonical SMILES for benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine is NNc1nc(N)cc(CCCNC23CCC(c4ccccc4)(CC2)CC3)c1N.c1ccccc1.
What is the InChIKey of benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine?
The InChIKey is BQVFUONDHMXVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6.C6H6/c23-18-15-16(19(24)20(27-18)28-25)5-4-14-26-22-11-8-21(9-12-22,10-13-22)17-6-2-1-3-7-17;1-2-4-6-5-3-1/h1-3,6-7,15,26H,4-5,8-14,24-25H2,(H3,23,27,28);1-6H.
What are the key properties of benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine?
benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine has a molecular weight of 458.65 g/mol, XLogP of 4.78, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;6-hydrazinyl-4-[3-[(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]propyl]pyridine-2,5-diamine is sourced from PubChem (CID 145371803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).