4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C20H37N7O3 — CID 23956718

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NC2CCCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H37N7O3/c21-7-11-28-15-16-29-12-8-22-18-24-19(23-17-5-3-1-2-4-6-17)26-20(25-18)27-9-13-30-14-10-27/h17H,1-16,21H2,(H2,22,23,24,25,26)
InChIKeySPDNRMTVCUNHMT-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.25
Rot. Bonds12

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23956718) has the molecular formula C20H37N7O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID23956718
Molecular FormulaC20H37N7O3
Molecular Weight423.56 g/mol
Exact Mass423.30
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESNCCOCCOCCNc1nc(NC2CCCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H37N7O3/c21-7-11-28-15-16-29-12-8-22-18-24-19(23-17-5-3-1-2-4-6-17)26-20(25-18)27-9-13-30-14-10-27/h17H,1-16,21H2,(H2,22,23,24,25,26)
InChIKeySPDNRMTVCUNHMT-UHFFFAOYSA-N
XLogP1.25
TPSA119.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 767098
N-cyclopentyl-4,6-dimorpholino-1,3,5-triazin-2-amine
CID 7589329
4,6-dimorpholin-4-yl-N-octadecyl-1,3,5-triazin-2-amine
CID 101603174
N-(tert-butyl)-N'-cyclohexyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 754499
4,6-di-4-morpholinyl-N-octyl-1,3,5-triazin-2-amine
CID 2837387
N-hexyl-4-methoxy-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 3117175
N-heptyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3117176
N-hexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3124821
N~2~-hexyl-6-(4-morpholinyl)-N~4~-propyl-1,3,5-triazine-2,4-diamine
CID 5030687
4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 117085708
N,N'-dicyclohexyl-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 5302411
4-(1-Azepanyl)-6-methoxy-N-[3-(4-morpholinyl)propyl]-1,3,5-triazin-2-amine
CID 6611375

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 23956718) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is NCCOCCOCCNc1nc(NC2CCCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SPDNRMTVCUNHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O3/c21-7-11-28-15-16-29-12-8-22-18-24-19(23-17-5-3-1-2-4-6-17)26-20(25-18)27-9-13-30-14-10-27/h17H,1-16,21H2,(H2,22,23,24,25,26).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 423.56 g/mol, XLogP of 1.25, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23956718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).