6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

C18H35N7O2 — CID 23787581

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H35N7O2/c1-14(2)21-17-23-16(20-9-11-27-13-12-26-10-8-19)24-18(25-17)22-15-6-4-3-5-7-15/h14-15H,3-13,19H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyRSECNVBGBVMKSA-UHFFFAOYSA-N
MW381.53 g/mol
LogP1.84
Rot. Bonds13

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23787581) has the molecular formula C18H35N7O2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID23787581
Molecular FormulaC18H35N7O2
Molecular Weight381.53 g/mol
Exact Mass381.29
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H35N7O2/c1-14(2)21-17-23-16(20-9-11-27-13-12-26-10-8-19)24-18(25-17)22-15-6-4-3-5-7-15/h14-15H,3-13,19H2,1-2H3,(H3,20,21,22,23,24,25)
InChIKeyRSECNVBGBVMKSA-UHFFFAOYSA-N
XLogP1.84
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 23787581) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(NCCOCCOCCN)nc(NC2CCCCC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RSECNVBGBVMKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N7O2/c1-14(2)21-17-23-16(20-9-11-27-13-12-26-10-8-19)24-18(25-17)22-15-6-4-3-5-7-15/h14-15H,3-13,19H2,1-2H3,(H3,20,21,22,23,24,25).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 381.53 g/mol, XLogP of 1.84, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23787581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).