4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C18H32N6O2 — CID 23928717

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(C2CCCCC2)n1
InChIInChI=1S/C18H32N6O2/c1-2-9-20-17-22-16(15-6-4-3-5-7-15)23-18(24-17)21-10-12-26-14-13-25-11-8-19/h2,15H,1,3-14,19H2,(H2,20,21,22,23,24)
InChIKeyIXFIYCXMVCKZED-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.92
Rot. Bonds13

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 23928717) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID23928717
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(C2CCCCC2)n1
InChIInChI=1S/C18H32N6O2/c1-2-9-20-17-22-16(15-6-4-3-5-7-15)23-18(24-17)21-10-12-26-14-13-25-11-8-19/h2,15H,1,3-14,19H2,(H2,20,21,22,23,24)
InChIKeyIXFIYCXMVCKZED-UHFFFAOYSA-N
XLogP1.92
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 23928717) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCCOCCOCCN)nc(C2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IXFIYCXMVCKZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-2-9-20-17-22-16(15-6-4-3-5-7-15)23-18(24-17)21-10-12-26-14-13-25-11-8-19/h2,15H,1,3-14,19H2,(H2,20,21,22,23,24).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 364.49 g/mol, XLogP of 1.92, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23928717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).