4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 23929107) has the molecular formula C19H36N6O3 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name	4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID	23929107
Molecular Formula	C19H36N6O3
Molecular Weight	396.54 g/mol
Exact Mass	396.28
IUPAC Name	4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILES	CC(C)Oc1nc(NCCOCCOCCN)nc(NCC2CCCCC2)n1
InChI	InChI=1S/C19H36N6O3/c1-15(2)28-19-24-17(21-9-11-27-13-12-26-10-8-20)23-18(25-19)22-14-16-6-4-3-5-7-16/h15-16H,3-14,20H2,1-2H3,(H2,21,22,23,24,25)
InChIKey	QYCWXWMUBGTUSM-UHFFFAOYSA-N
XLogP	2.05
TPSA	116.44 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	14
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 23929107) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(NCCOCCOCCN)nc(NCC2CCCCC2)n1.

What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?

The InChIKey is QYCWXWMUBGTUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6O3/c1-15(2)28-19-24-17(21-9-11-27-13-12-26-10-8-20)23-18(25-19)22-14-16-6-4-3-5-7-16/h15-16H,3-14,20H2,1-2H3,(H2,21,22,23,24,25).

What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 396.54 g/mol, XLogP of 2.05, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23929107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).