2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C18H33N5O2 — CID 118176348

IUPAC2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOCN(COC)c1nc(C2CCCCC2)nc(N(C)C)n1
InChIInChI=1S/C18H33N5O2/c1-5-6-12-25-14-23(13-24-4)18-20-16(15-10-8-7-9-11-15)19-17(21-18)22(2)3/h15H,5-14H2,1-4H3
InChIKeyYLIXPPBRTVIZML-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.17
Rot. Bonds10

About 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 118176348) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID118176348
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOCN(COC)c1nc(C2CCCCC2)nc(N(C)C)n1
InChIInChI=1S/C18H33N5O2/c1-5-6-12-25-14-23(13-24-4)18-20-16(15-10-8-7-9-11-15)19-17(21-18)22(2)3/h15H,5-14H2,1-4H3
InChIKeyYLIXPPBRTVIZML-UHFFFAOYSA-N
XLogP3.17
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-cyclohexyl-N,N,N',N'-tetramethyl-
CID 3039315
N-[4-[bis(methoxymethyl)amino]-6-cyclohexyl-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 57536630
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
N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(4-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 58341520
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-cyclopentyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341525

Frequently Asked Questions

What is the IUPAC name of 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 118176348) is 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCCCOCN(COC)c1nc(C2CCCCC2)nc(N(C)C)n1.
What is the InChIKey of 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YLIXPPBRTVIZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O2/c1-5-6-12-25-14-23(13-24-4)18-20-16(15-10-8-7-9-11-15)19-17(21-18)22(2)3/h15H,5-14H2,1-4H3.
What are the key properties of 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 351.50 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118176348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).