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

C19H35N5O3 — CID 58341530

IUPAC2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCOCN(COC)c1nc(C2CCC(C)C2)nc(N(C)COC)n1
InChIInChI=1S/C19H35N5O3/c1-6-7-10-27-14-24(13-26-5)19-21-17(16-9-8-15(2)11-16)20-18(22-19)23(3)12-25-4/h15-16H,6-14H2,1-5H3
InChIKeyUIFFGONMQBALIU-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.00
Rot. Bonds12

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

2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 58341530) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
PubChem CID58341530
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC Name2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCOCN(COC)c1nc(C2CCC(C)C2)nc(N(C)COC)n1
InChIInChI=1S/C19H35N5O3/c1-6-7-10-27-14-24(13-26-5)19-21-17(16-9-8-15(2)11-16)20-18(22-19)23(3)12-25-4/h15-16H,6-14H2,1-5H3
InChIKeyUIFFGONMQBALIU-UHFFFAOYSA-N
XLogP3.00
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.00
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'}

Analyze 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (CID 58341530) is 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is CCCCOCN(COC)c1nc(C2CCC(C)C2)nc(N(C)COC)n1.
What is the InChIKey of 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UIFFGONMQBALIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-6-7-10-27-14-24(13-26-5)19-21-17(16-9-8-15(2)11-16)20-18(22-19)23(3)12-25-4/h15-16H,6-14H2,1-5H3.
What are the key properties of 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 381.52 g/mol, XLogP of 3.00, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(butoxymethyl)-2-N,4-N-bis(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58341530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).