N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine

C24H43N7O2 — CID 19991747

IUPACN-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C(C)(C)C1
InChIInChI=1S/C24H43N7O2/c1-6-7-8-25-19-17-23(2,3)31(24(4,5)18-19)22-27-20(29-9-13-32-14-10-29)26-21(28-22)30-11-15-33-16-12-30/h19,25H,6-18H2,1-5H3
InChIKeyKFLAIBAOTIRIGC-UHFFFAOYSA-N
MW461.66 g/mol
LogP2.46
Rot. Bonds7

About N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine

N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 19991747) has the molecular formula C24H43N7O2 and a molecular weight of 461.66 g/mol. Its IUPAC name is N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID19991747
Molecular FormulaC24H43N7O2
Molecular Weight461.66 g/mol
Exact Mass461.35
IUPAC NameN-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCNC1CC(C)(C)N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C(C)(C)C1
InChIInChI=1S/C24H43N7O2/c1-6-7-8-25-19-17-23(2,3)31(24(4,5)18-19)22-27-20(29-9-13-32-14-10-29)26-21(28-22)30-11-15-33-16-12-30/h19,25H,6-18H2,1-5H3
InChIKeyKFLAIBAOTIRIGC-UHFFFAOYSA-N
XLogP2.46
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine (CID 19991747) is N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine is CCCCNC1CC(C)(C)N(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)C(C)(C)C1.
What is the InChIKey of N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is KFLAIBAOTIRIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N7O2/c1-6-7-8-25-19-17-23(2,3)31(24(4,5)18-19)22-27-20(29-9-13-32-14-10-29)26-21(28-22)30-11-15-33-16-12-30/h19,25H,6-18H2,1-5H3.
What are the key properties of N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine?
N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 461.66 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 19991747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).