6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine

C32H58N10 — CID 54438582

IUPAC6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCNc1nc(N)nc(C2CCC(c3nc(N)nc(NCCCCCCCCCC)n3)CC2)n1
InChIInChI=1S/C32H58N10/c1-3-5-7-9-11-13-15-17-23-35-31-39-27(37-29(33)41-31)25-19-21-26(22-20-25)28-38-30(34)42-32(40-28)36-24-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42)
InChIKeyWMLYSXMKLITCFI-UHFFFAOYSA-N
MW582.89 g/mol
LogP7.77
Rot. Bonds22

About 6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine

6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine (PubChem CID 54438582) has the molecular formula C32H58N10 and a molecular weight of 582.89 g/mol. Its IUPAC name is 6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine
PubChem CID54438582
Molecular FormulaC32H58N10
Molecular Weight582.89 g/mol
Exact Mass582.48
IUPAC Name6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCNc1nc(N)nc(C2CCC(c3nc(N)nc(NCCCCCCCCCC)n3)CC2)n1
InChIInChI=1S/C32H58N10/c1-3-5-7-9-11-13-15-17-23-35-31-39-27(37-29(33)41-31)25-19-21-26(22-20-25)28-38-30(34)42-32(40-28)36-24-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42)
InChIKeyWMLYSXMKLITCFI-UHFFFAOYSA-N
XLogP7.77
TPSA153.44 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.89
LogP ≤ 57.77
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-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine (CID 54438582) is 6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCNc1nc(N)nc(C2CCC(c3nc(N)nc(NCCCCCCCCCC)n3)CC2)n1.
What is the InChIKey of 6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WMLYSXMKLITCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58N10/c1-3-5-7-9-11-13-15-17-23-35-31-39-27(37-29(33)41-31)25-19-21-26(22-20-25)28-38-30(34)42-32(40-28)36-24-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3,(H3,33,35,37,39,41)(H3,34,36,38,40,42).
What are the key properties of 6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine?
6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine has a molecular weight of 582.89 g/mol, XLogP of 7.77, 22 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-amino-6-(decylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-decyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54438582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).