4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine

C21H38N4O2 — CID 58341511

IUPAC4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine
SMILESCCCCOCCc1nc(C2CCCCC2)nc(N(C)COCCCC)n1
InChIInChI=1S/C21H38N4O2/c1-4-6-14-26-16-13-19-22-20(18-11-9-8-10-12-18)24-21(23-19)25(3)17-27-15-7-5-2/h18H,4-17H2,1-3H3
InChIKeyKTMMFZVENFMCRC-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.49
Rot. Bonds13

About 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine

4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 58341511) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine
PubChem CID58341511
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC Name4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine
SMILESCCCCOCCc1nc(C2CCCCC2)nc(N(C)COCCCC)n1
InChIInChI=1S/C21H38N4O2/c1-4-6-14-26-16-13-19-22-20(18-11-9-8-10-12-18)24-21(23-19)25(3)17-27-15-7-5-2/h18H,4-17H2,1-3H3
InChIKeyKTMMFZVENFMCRC-UHFFFAOYSA-N
XLogP4.49
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine (CID 58341511) is 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine is CCCCOCCc1nc(C2CCCCC2)nc(N(C)COCCCC)n1.
What is the InChIKey of 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is KTMMFZVENFMCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-4-6-14-26-16-13-19-22-20(18-11-9-8-10-12-18)24-21(23-19)25(3)17-27-15-7-5-2/h18H,4-17H2,1-3H3.
What are the key properties of 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine?
4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 378.56 g/mol, XLogP of 4.49, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 58341511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).