6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine

C27H36N6 — CID 145371910

IUPAC6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine
SMILESCC1(NCCC(c2ccccc2)c2cc(N)nc(NN)c2N)CCC(c2ccccc2)CC1
InChIInChI=1S/C27H36N6/c1-27(15-12-20(13-16-27)19-8-4-2-5-9-19)31-17-14-22(21-10-6-3-7-11-21)23-18-24(28)32-26(33-30)25(23)29/h2-11,18,20,22,31H,12-17,29-30H2,1H3,(H3,28,32,33)
InChIKeyGGQWYBDCKPSUAX-UHFFFAOYSA-N
MW444.63 g/mol
LogP4.76
Rot. Bonds8

About 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine

6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine (PubChem CID 145371910) has the molecular formula C27H36N6 and a molecular weight of 444.63 g/mol. Its IUPAC name is 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine
PubChem CID145371910
Molecular FormulaC27H36N6
Molecular Weight444.63 g/mol
Exact Mass444.30
IUPAC Name6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine
SMILESCC1(NCCC(c2ccccc2)c2cc(N)nc(NN)c2N)CCC(c2ccccc2)CC1
InChIInChI=1S/C27H36N6/c1-27(15-12-20(13-16-27)19-8-4-2-5-9-19)31-17-14-22(21-10-6-3-7-11-21)23-18-24(28)32-26(33-30)25(23)29/h2-11,18,20,22,31H,12-17,29-30H2,1H3,(H3,28,32,33)
InChIKeyGGQWYBDCKPSUAX-UHFFFAOYSA-N
XLogP4.76
TPSA115.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.63
LogP ≤ 54.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
4-[2-(2-Fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine
CID 126679898
7-[2-(2-fluorophenyl)-1-phenylethyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 130450741
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-Fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 130451115
4-[(2-Fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270318
4-[(2-Fluoro-3-methylphenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270355
4-[[3-(3-Fluorophenyl)phenyl]methyl]-6-hydrazinylpyridine-2,5-diamine
CID 145270362
4-[3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371656
4-[3-[2,2-Difluoroethyl-(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371760
6-hydrazinyl-4-[1-phenyl-3-[[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]propyl]pyridine-2,5-diamine
CID 145371799

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine?
The IUPAC name of 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine (CID 145371910) is 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine?
The canonical SMILES for 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine is CC1(NCCC(c2ccccc2)c2cc(N)nc(NN)c2N)CCC(c2ccccc2)CC1.
What is the InChIKey of 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine?
The InChIKey is GGQWYBDCKPSUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6/c1-27(15-12-20(13-16-27)19-8-4-2-5-9-19)31-17-14-22(21-10-6-3-7-11-21)23-18-24(28)32-26(33-30)25(23)29/h2-11,18,20,22,31H,12-17,29-30H2,1H3,(H3,28,32,33).
What are the key properties of 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine?
6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine has a molecular weight of 444.63 g/mol, XLogP of 4.76, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]pyridine-2,5-diamine is sourced from PubChem (CID 145371910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).