4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene

C26H36N6 — CID 145371725

IUPAC4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene
SMILESNCCC(c1ccccc1)c1cc(N)nc(NN)c1N.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H20N6.C12H16/c15-7-6-10(9-4-2-1-3-5-9)11-8-12(16)19-14(20-18)13(11)17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,8,10H,6-7,15,17-18H2,(H3,16,19,20);1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyRVOUZGMQVVCXCK-UHFFFAOYSA-N
MW432.62 g/mol
LogP4.75
Rot. Bonds6

About 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene

4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene (PubChem CID 145371725) has the molecular formula C26H36N6 and a molecular weight of 432.62 g/mol. Its IUPAC name is 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene.

Molecular Properties

Compound Name4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene
PubChem CID145371725
Molecular FormulaC26H36N6
Molecular Weight432.62 g/mol
Exact Mass432.30
IUPAC Name4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene
SMILESNCCC(c1ccccc1)c1cc(N)nc(NN)c1N.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H20N6.C12H16/c15-7-6-10(9-4-2-1-3-5-9)11-8-12(16)19-14(20-18)13(11)17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,8,10H,6-7,15,17-18H2,(H3,16,19,20);1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyRVOUZGMQVVCXCK-UHFFFAOYSA-N
XLogP4.75
TPSA129.00 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.62
LogP ≤ 54.75
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
3-[(4-Benzylphenyl)diazenyl]pyridine-2,6-diamine
CID 178314709
(3-Phenethylquinoxalin-2-yl)hydrazine
CID 488816
7-[[3-(3-fluorophenyl)phenyl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126678950
7-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126679213
7-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
CID 126679216
4-[2-(2-Fluoro-5-prop-1-en-2-ylphenyl)ethyl]-6-hydrazinylpyridine-2,5-diamine
CID 126679898
4-[2-[3-(3-Fluorophenyl)phenyl]ethyl]pyridine-2,3,6-triamine
CID 126680558
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-[1-(2-Fluorophenyl)-2-phenylethyl]pyridine-2,3,6-triamine
CID 130450743
4-[2-[(2,2-Difluoro-2-phenylethyl)amino]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450772

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene?
The IUPAC name of 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene (CID 145371725) is 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene.
What is the SMILES notation for 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene?
The canonical SMILES for 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene is NCCC(c1ccccc1)c1cc(N)nc(NN)c1N.c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene?
The InChIKey is RVOUZGMQVVCXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6.C12H16/c15-7-6-10(9-4-2-1-3-5-9)11-8-12(16)19-14(20-18)13(11)17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,8,10H,6-7,15,17-18H2,(H3,16,19,20);1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene?
4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene has a molecular weight of 432.62 g/mol, XLogP of 4.75, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene is sourced from PubChem (CID 145371725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).