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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341510
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-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
2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 58341530
2-N,2-N,4-N-tris(butoxymethyl)-6-cyclohexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58363767

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).