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

C17H30N6O2 — CID 3605435

IUPACN-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H30N6O2/c1-14(2)4-3-5-18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h14H,3-13H2,1-2H3,(H,18,19,20,21)
InChIKeyBGLBITXVAHEIMO-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.39
Rot. Bonds7

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

N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3605435) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3605435
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC NameN-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H30N6O2/c1-14(2)4-3-5-18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h14H,3-13H2,1-2H3,(H,18,19,20,21)
InChIKeyBGLBITXVAHEIMO-UHFFFAOYSA-N
XLogP1.39
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-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-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 3605435) is N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is CC(C)CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is BGLBITXVAHEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-14(2)4-3-5-18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h14H,3-13H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3605435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).