6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

C21H39N7O3 — CID 23758493

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCC2CCCO2)nc(NC2CCCCCC2)n1
InChIInChI=1S/C21H39N7O3/c22-9-12-29-14-15-30-13-10-23-19-26-20(24-16-18-8-5-11-31-18)28-21(27-19)25-17-6-3-1-2-4-7-17/h17-18H,1-16,22H2,(H3,23,24,25,26,27,28)
InChIKeyHYZHGVUROZQZNT-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.00
Rot. Bonds14

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23758493) has the molecular formula C21H39N7O3 and a molecular weight of 437.59 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23758493
Molecular FormulaC21H39N7O3
Molecular Weight437.59 g/mol
Exact Mass437.31
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCC2CCCO2)nc(NC2CCCCCC2)n1
InChIInChI=1S/C21H39N7O3/c22-9-12-29-14-15-30-13-10-23-19-26-20(24-16-18-8-5-11-31-18)28-21(27-19)25-17-6-3-1-2-4-7-17/h17-18H,1-16,22H2,(H3,23,24,25,26,27,28)
InChIKeyHYZHGVUROZQZNT-UHFFFAOYSA-N
XLogP2.00
TPSA128.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (CID 23758493) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is NCCOCCOCCNc1nc(NCC2CCCO2)nc(NC2CCCCCC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HYZHGVUROZQZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N7O3/c22-9-12-29-14-15-30-13-10-23-19-26-20(24-16-18-8-5-11-31-18)28-21(27-19)25-17-6-3-1-2-4-7-17/h17-18H,1-16,22H2,(H3,23,24,25,26,27,28).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 437.59 g/mol, XLogP of 2.00, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23758493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).