azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride

C25H59ClN10O — CID 158226737

IUPACazane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
SMILESCCCCCCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H38N6O.ClH.4H3N.4H2/c1-2-3-4-11-20-32-22-14-12-21(13-15-22)26-23-27-24(30-16-7-5-8-17-30)29-25(28-23)31-18-9-6-10-19-31;;;;;;;;;/h12-15H,2-11,16-20H2,1H3,(H,26,27,28,29);1H;4*1H3;4*1H
InChIKeyFHTIELQPRNTRNP-UHFFFAOYSA-N
MW551.27 g/mol
LogP7.61
Rot. Bonds10

About azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride

azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride (PubChem CID 158226737) has the molecular formula C25H59ClN10O and a molecular weight of 551.27 g/mol. Its IUPAC name is azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride.

Molecular Properties

Compound Nameazane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
PubChem CID158226737
Molecular FormulaC25H59ClN10O
Molecular Weight551.27 g/mol
Exact Mass550.46
IUPAC Nameazane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
SMILESCCCCCCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H38N6O.ClH.4H3N.4H2/c1-2-3-4-11-20-32-22-14-12-21(13-15-22)26-23-27-24(30-16-7-5-8-17-30)29-25(28-23)31-18-9-6-10-19-31;;;;;;;;;/h12-15H,2-11,16-20H2,1H3,(H,26,27,28,29);1H;4*1H3;4*1H
InChIKeyFHTIELQPRNTRNP-UHFFFAOYSA-N
XLogP7.61
TPSA206.41 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500551.27
LogP ≤ 57.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride with MolForge

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Related Compounds

azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
N-[[4-[2-(4-hexoxyphenoxy)ethoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 5146690
azane;1-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-2-(4-methoxyphenyl)hydrazine;molecular hydrogen;hydrochloride
CID 162249319
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
2-N-(3-undecoxyphenyl)-4-N,6-N-bis(4-undecoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 58789715
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-pentoxybenzamide
CID 122287620
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
6-(azepan-1-yl)-4-N-(4-butoxyphenyl)pyrimidine-4,5-diamine
CID 19137826
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366

Frequently Asked Questions

What is the IUPAC name of azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The IUPAC name of azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride (CID 158226737) is azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride.
What is the SMILES notation for azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The canonical SMILES for azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride is CCCCCCOc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1.Cl.N.N.N.N.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
The InChIKey is FHTIELQPRNTRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O.ClH.4H3N.4H2/c1-2-3-4-11-20-32-22-14-12-21(13-15-22)26-23-27-24(30-16-7-5-8-17-30)29-25(28-23)31-18-9-6-10-19-31;;;;;;;;;/h12-15H,2-11,16-20H2,1H3,(H,26,27,28,29);1H;4*1H3;4*1H.
What are the key properties of azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride?
azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride has a molecular weight of 551.27 g/mol, XLogP of 7.61, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(4-hexoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride is sourced from PubChem (CID 158226737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).