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

C25H34N6O — CID 145371810

IUPAC4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane
SMILESNCCC(c1ccccc1)c1cc(N)nc(NN)c1N.c1ccc(C2CCCCO2)cc1
InChIInChI=1S/C14H20N6.C11H14O/c15-7-6-10(9-4-2-1-3-5-9)11-8-12(16)19-14(20-18)13(11)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-5,8,10H,6-7,15,17-18H2,(H3,16,19,20);1-3,6-7,11H,4-5,8-9H2
InChIKeyYHIMETZMRAQGOM-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.94
Rot. Bonds6

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

4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane (PubChem CID 145371810) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane.

Molecular Properties

Compound Name4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane
PubChem CID145371810
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane
SMILESNCCC(c1ccccc1)c1cc(N)nc(NN)c1N.c1ccc(C2CCCCO2)cc1
InChIInChI=1S/C14H20N6.C11H14O/c15-7-6-10(9-4-2-1-3-5-9)11-8-12(16)19-14(20-18)13(11)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-5,8,10H,6-7,15,17-18H2,(H3,16,19,20);1-3,6-7,11H,4-5,8-9H2
InChIKeyYHIMETZMRAQGOM-UHFFFAOYSA-N
XLogP3.94
TPSA138.23 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

1-[4-(3,6-Diamino-2-hydrazinyl-4-pyridinyl)-4-phenylbutyl]-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 145371714
6-Hydrazinyl-4-[(3-phenylmethoxyphenyl)methyl]pyridine-2,5-diamine
CID 126679443
4-[3-(2-Benzyl-1,3-dioxolan-2-yl)-1-phenylpropyl]-6-hydrazinylpyridine-2,5-diamine
CID 130450775
6-Hydrazinyl-4-[1-phenyl-2-(4-phenylmethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 130450958
6-Hydrazinyl-4-[1-phenyl-2-(3-phenylmethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 130450967
[4-[2-(3,6-Diamino-2-hydrazinyl-4-pyridinyl)-2-phenylethyl]phenyl]methanol
CID 130451182
Benzene;6-hydrazinyl-4-[3-(oxan-3-ylamino)-1-phenylpropyl]pyridine-2,5-diamine
CID 145371680
4-(1-Phenyl-3-phenylmethoxypropyl)pyridine-2,3,6-triamine
CID 145371683
4-[1-Phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]pyridine-2,3,6-triamine
CID 145371716
4-(3-Amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;cyclohexylbenzene
CID 145371725
Benzene;4-[3-(cyclohexylamino)-1-(3-methoxyphenyl)propyl]-6-hydrazinylpyridine-2,5-diamine
CID 145371748
6-hydrazinyl-4-(1-phenyl-4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)pyridine-2,5-diamine
CID 145371767

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane?
The IUPAC name of 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane (CID 145371810) is 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane.
What is the SMILES notation for 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane?
The canonical SMILES for 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane is NCCC(c1ccccc1)c1cc(N)nc(NN)c1N.c1ccc(C2CCCCO2)cc1.
What is the InChIKey of 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane?
The InChIKey is YHIMETZMRAQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6.C11H14O/c15-7-6-10(9-4-2-1-3-5-9)11-8-12(16)19-14(20-18)13(11)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-5,8,10H,6-7,15,17-18H2,(H3,16,19,20);1-3,6-7,11H,4-5,8-9H2.
What are the key properties of 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane?
4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane has a molecular weight of 434.59 g/mol, XLogP of 3.94, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-phenylpropyl)-6-hydrazinylpyridine-2,5-diamine;2-phenyloxane is sourced from PubChem (CID 145371810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).