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

C22H41N5O3 — CID 58341510

IUPAC2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOCN(C)c1nc(C2CCCCC2)nc(N(COC)COCCCC)n1
InChIInChI=1S/C22H41N5O3/c1-5-7-14-29-16-26(3)21-23-20(19-12-10-9-11-13-19)24-22(25-21)27(17-28-4)18-30-15-8-6-2/h19H,5-18H2,1-4H3
InChIKeyLACQBTWZFOJNTO-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.31
Rot. Bonds15

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

2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 58341510) has the molecular formula C22H41N5O3 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID58341510
Molecular FormulaC22H41N5O3
Molecular Weight423.60 g/mol
Exact Mass423.32
IUPAC Name2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOCN(C)c1nc(C2CCCCC2)nc(N(COC)COCCCC)n1
InChIInChI=1S/C22H41N5O3/c1-5-7-14-29-16-26(3)21-23-20(19-12-10-9-11-13-19)24-22(25-21)27(17-28-4)18-30-15-8-6-2/h19H,5-18H2,1-4H3
InChIKeyLACQBTWZFOJNTO-UHFFFAOYSA-N
XLogP4.31
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
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
6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341526

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 58341510) is 2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CCCCOCN(C)c1nc(C2CCCCC2)nc(N(COC)COCCCC)n1.
What is the InChIKey of 2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LACQBTWZFOJNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O3/c1-5-7-14-29-16-26(3)21-23-20(19-12-10-9-11-13-19)24-22(25-21)27(17-28-4)18-30-15-8-6-2/h19H,5-18H2,1-4H3.
What are the key properties of 2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 423.60 g/mol, XLogP of 4.31, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58341510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).