N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine

C27H46N6O — CID 118360882

IUPACN-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(N(C2CCCCC2)C2CCCCC2)nc(N(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C27H46N6O/c34-31-25-28-26(32(21-13-5-1-6-14-21)22-15-7-2-8-16-22)30-27(29-25)33(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24,34H,1-20H2,(H,28,29,30,31)
InChIKeySLACHKFXTBPLFQ-UHFFFAOYSA-N
MW470.71 g/mol
LogP6.62
Rot. Bonds7

About N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine

N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 118360882) has the molecular formula C27H46N6O and a molecular weight of 470.71 g/mol. Its IUPAC name is N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID118360882
Molecular FormulaC27H46N6O
Molecular Weight470.71 g/mol
Exact Mass470.37
IUPAC NameN-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(N(C2CCCCC2)C2CCCCC2)nc(N(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C27H46N6O/c34-31-25-28-26(32(21-13-5-1-6-14-21)22-15-7-2-8-16-22)30-27(29-25)33(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24,34H,1-20H2,(H,28,29,30,31)
InChIKeySLACHKFXTBPLFQ-UHFFFAOYSA-N
XLogP6.62
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.71
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine 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

2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3876501
2-N-cyclohexyl-2-N,4-N-dimethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762337
2-N-cyclohexyl-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80761478
N-[4,6-bis[bis(cyclohexanecarbonyl)amino]-1,3,5-triazin-2-yl]-N-(cyclohexanecarbonyl)cyclohexanecarboxamide
CID 70872087
(2S)-2-[[4-chloro-6-(dicyclohexylamino)-1,3,5-triazin-2-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid
CID 10209256
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol
CID 80811349
2-N-cyclopentyl-2-N-ethyl-4-N,4-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80774985
2-(dicyclohexylamino)phenol
CID 138424304
N-cyclohexyl-4-hydrazinyl-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80927830
N-cyclohexyl-N-(3,3-dimethylcyclopropen-1-yl)cyclohexanamine
CID 118178816
N,N-dicyclohexyl-4-[4-(dicyclohexylamino)phenyl]aniline
CID 89467899
1-cycloheptyl-1,2,2-tricyclohexylhydrazine
CID 139397453

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine (CID 118360882) is N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine is ONc1nc(N(C2CCCCC2)C2CCCCC2)nc(N(C2CCCCC2)C2CCCCC2)n1.
What is the InChIKey of N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is SLACHKFXTBPLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N6O/c34-31-25-28-26(32(21-13-5-1-6-14-21)22-15-7-2-8-16-22)30-27(29-25)33(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24,34H,1-20H2,(H,28,29,30,31).
What are the key properties of N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 470.71 g/mol, XLogP of 6.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(dicyclohexylamino)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 118360882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).