1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol

C25H49N5O4 — CID 67518532

IUPAC1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol
SMILESCCCCOCN(COCCCC)c1nc(CC)nc(N(COCCCC)C(O)CCCC)n1
InChIInChI=1S/C25H49N5O4/c1-6-11-15-23(31)30(21-34-18-14-9-4)25-27-22(10-5)26-24(28-25)29(19-32-16-12-7-2)20-33-17-13-8-3/h23,31H,6-21H2,1-5H3
InChIKeyYUSBAANSYLRLLQ-UHFFFAOYSA-N
MW483.70 g/mol
LogP4.88
Rot. Bonds22

About 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol

1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol (PubChem CID 67518532) has the molecular formula C25H49N5O4 and a molecular weight of 483.70 g/mol. Its IUPAC name is 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol
PubChem CID67518532
Molecular FormulaC25H49N5O4
Molecular Weight483.70 g/mol
Exact Mass483.38
IUPAC Name1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol
SMILESCCCCOCN(COCCCC)c1nc(CC)nc(N(COCCCC)C(O)CCCC)n1
InChIInChI=1S/C25H49N5O4/c1-6-11-15-23(31)30(21-34-18-14-9-4)25-27-22(10-5)26-24(28-25)29(19-32-16-12-7-2)20-33-17-13-8-3/h23,31H,6-21H2,1-5H3
InChIKeyYUSBAANSYLRLLQ-UHFFFAOYSA-N
XLogP4.88
TPSA93.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.70
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol 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

1-[[4-[bis(butoxymethyl)amino]-6-cyclohexyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol
CID 70842070
2-N,2-N,4-N,4-N-tetrakis(butoxymethyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 139712262
2-N,4-N-bis(butoxymethyl)-6-N-ethyl-2-N,4-N-bis(methoxymethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 20676471
2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 58341514
1-[bis(butoxymethyl)amino]propan-1-ol
CID 22138613
1-[1-hydroxypentyl(methyl)amino]pentan-1-ol
CID 87112081
1-[[4-[butoxymethyl(methoxymethyl)amino]-6-(3-methylphenyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 89467737
1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
CID 71179239
[[4-[bis(butoxymethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-(cyclobutyloxymethyl)amino]methanol
CID 90334408
butane-2,3-diol;1-butoxybutane
CID 87169993
1-butoxybutane;propane-1,1-diol
CID 87222669
1-(5,6-dihydroxydecoxy)decane-5,6-diol
CID 91000275

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol?
The IUPAC name of 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol (CID 67518532) is 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol.
What is the SMILES notation for 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol?
The canonical SMILES for 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol is CCCCOCN(COCCCC)c1nc(CC)nc(N(COCCCC)C(O)CCCC)n1.
What is the InChIKey of 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol?
The InChIKey is YUSBAANSYLRLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N5O4/c1-6-11-15-23(31)30(21-34-18-14-9-4)25-27-22(10-5)26-24(28-25)29(19-32-16-12-7-2)20-33-17-13-8-3/h23,31H,6-21H2,1-5H3.
What are the key properties of 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol?
1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol has a molecular weight of 483.70 g/mol, XLogP of 4.88, 22 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[bis(butoxymethyl)amino]-6-ethyl-1,3,5-triazin-2-yl]-(butoxymethyl)amino]pentan-1-ol is sourced from PubChem (CID 67518532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).