1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol

C21H39N7O3 — CID 23758192

IUPAC1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESNCCOCCOCCNc1nc(NCC2(O)CCCCC2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H39N7O3/c22-10-12-30-14-15-31-13-11-23-18-26-19(24-16-21(29)8-4-1-5-9-21)28-20(27-18)25-17-6-2-3-7-17/h17,29H,1-16,22H2,(H3,23,24,25,26,27,28)
InChIKeyRGGUSVAEXIYHAV-UHFFFAOYSA-N
MW437.59 g/mol
LogP1.74
Rot. Bonds14

About 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol

1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 23758192) has the molecular formula C21H39N7O3 and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
PubChem CID23758192
Molecular FormulaC21H39N7O3
Molecular Weight437.59 g/mol
Exact Mass437.31
IUPAC Name1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
SMILESNCCOCCOCCNc1nc(NCC2(O)CCCCC2)nc(NC2CCCC2)n1
InChIInChI=1S/C21H39N7O3/c22-10-12-30-14-15-31-13-11-23-18-26-19(24-16-21(29)8-4-1-5-9-21)28-20(27-18)25-17-6-2-3-7-17/h17,29H,1-16,22H2,(H3,23,24,25,26,27,28)
InChIKeyRGGUSVAEXIYHAV-UHFFFAOYSA-N
XLogP1.74
TPSA139.47 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 51.74
H-Bond Donors ≤ 55
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 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol (CID 23758192) is 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is NCCOCCOCCNc1nc(NCC2(O)CCCCC2)nc(NC2CCCC2)n1.
What is the InChIKey of 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is RGGUSVAEXIYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N7O3/c22-10-12-30-14-15-31-13-11-23-18-26-19(24-16-21(29)8-4-1-5-9-21)28-20(27-18)25-17-6-2-3-7-17/h17,29H,1-16,22H2,(H3,23,24,25,26,27,28).
What are the key properties of 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol?
1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 437.59 g/mol, XLogP of 1.74, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 23758192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).