N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine

C19H34N4O2 — CID 58341520

IUPACN-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCCCCOCN(COC)c1nc(CC)nc(C2CCC(C)CC2)n1
InChIInChI=1S/C19H34N4O2/c1-5-7-12-25-14-23(13-24-4)19-21-17(6-2)20-18(22-19)16-10-8-15(3)9-11-16/h15-16H,5-14H2,1-4H3
InChIKeyZJGBAMOAOBXKFR-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.91
Rot. Bonds10

About N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine

N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 58341520) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
PubChem CID58341520
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCCCCOCN(COC)c1nc(CC)nc(C2CCC(C)CC2)n1
InChIInChI=1S/C19H34N4O2/c1-5-7-12-25-14-23(13-24-4)19-21-17(6-2)20-18(22-19)16-10-8-15(3)9-11-16/h15-16H,5-14H2,1-4H3
InChIKeyZJGBAMOAOBXKFR-UHFFFAOYSA-N
XLogP3.91
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.91
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'}

Analyze N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

[[4-[Bis(hydroxymethyl)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 57536634
N-[4-[bis(methoxymethyl)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 57536641
2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341510
4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclohexyl-N-methyl-1,3,5-triazin-2-amine
CID 58341511
2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 58341514
4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine
CID 58341516
4-cyclopentyl-6-(2-methoxyethyl)-N-(methoxymethyl)-N-methyl-1,3,5-triazin-2-amine
CID 58341517
2-N,4-N-bis(butoxymethyl)-6-cyclopentyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341523
4-cyclohexyl-6-(2-methoxyethyl)-N-(methoxymethyl)-N-methyl-1,3,5-triazin-2-amine
CID 58341524
6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341526
N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine
CID 58341528
2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 58341529

Frequently Asked Questions

What is the IUPAC name of N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine (CID 58341520) is N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine is CCCCOCN(COC)c1nc(CC)nc(C2CCC(C)CC2)n1.
What is the InChIKey of N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is ZJGBAMOAOBXKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-5-7-12-25-14-23(13-24-4)19-21-17(6-2)20-18(22-19)16-10-8-15(3)9-11-16/h15-16H,5-14H2,1-4H3.
What are the key properties of N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine?
N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 350.51 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58341520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).