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

C19H34N6O3 — CID 23901106

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NC2CCC(C)CC2)n1
InChIInChI=1S/C19H34N6O3/c1-3-10-28-19-24-17(21-9-12-27-14-13-26-11-8-20)23-18(25-19)22-16-6-4-15(2)5-7-16/h3,15-16H,1,4-14,20H2,2H3,(H2,21,22,23,24,25)
InChIKeyXHVITPKXICALMX-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.83
Rot. Bonds14

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 23901106) has the molecular formula C19H34N6O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID23901106
Molecular FormulaC19H34N6O3
Molecular Weight394.52 g/mol
Exact Mass394.27
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(NC2CCC(C)CC2)n1
InChIInChI=1S/C19H34N6O3/c1-3-10-28-19-24-17(21-9-12-27-14-13-26-11-8-20)23-18(25-19)22-16-6-4-15(2)5-7-16/h3,15-16H,1,4-14,20H2,2H3,(H2,21,22,23,24,25)
InChIKeyXHVITPKXICALMX-UHFFFAOYSA-N
XLogP1.83
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 23758451
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
CID 23758470
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23758515
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23758516
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine
CID 23758529
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23787610
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23816527
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(2-methylcyclohexyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 23816536
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 23873075
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(2-methylcyclohexyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 23873078
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclooctyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23901105
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(2-bicyclo[2.2.1]heptanyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23929098

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 23901106) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(NCCOCCOCCN)nc(NC2CCC(C)CC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is XHVITPKXICALMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O3/c1-3-10-28-19-24-17(21-9-12-27-14-13-26-11-8-20)23-18(25-19)22-16-6-4-15(2)5-7-16/h3,15-16H,1,4-14,20H2,2H3,(H2,21,22,23,24,25).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 394.52 g/mol, XLogP of 1.83, 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-(4-methylcyclohexyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23901106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).