2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine

C23H45N5O — CID 3103369

IUPAC2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCOc1nc(NCC)nc(NCC)n1
InChIInChI=1S/C23H45N5O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23-27-21(24-5-2)26-22(28-23)25-6-3/h4-20H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyJEHJJDSDWKICAK-UHFFFAOYSA-N
MW407.65 g/mol
LogP6.60
Rot. Bonds20

About 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine (PubChem CID 3103369) has the molecular formula C23H45N5O and a molecular weight of 407.65 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
PubChem CID3103369
Molecular FormulaC23H45N5O
Molecular Weight407.65 g/mol
Exact Mass407.36
IUPAC Name2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCOc1nc(NCC)nc(NCC)n1
InChIInChI=1S/C23H45N5O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23-27-21(24-5-2)26-22(28-23)25-6-3/h4-20H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyJEHJJDSDWKICAK-UHFFFAOYSA-N
XLogP6.60
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.65
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
4-(2-butoxyethoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80861104
4-hexoxy-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80842496
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
4-chloro-N-methyl-6-octoxy-1,3,5-triazin-2-amine
CID 80861536
3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80866003
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine (CID 3103369) is 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCCCCCCOc1nc(NCC)nc(NCC)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is JEHJJDSDWKICAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23-27-21(24-5-2)26-22(28-23)25-6-3/h4-20H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 407.65 g/mol, XLogP of 6.60, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3103369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).