6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H27N5O — CID 80817723

IUPAC6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(CC)CCC)nc(OCC)n1
InChIInChI=1S/C14H27N5O/c1-5-9-11(7-3)16-13-17-12(15-10-6-2)18-14(19-13)20-8-4/h11H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyXTUKXFBAFZUXAM-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.08
Rot. Bonds10

About 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80817723) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80817723
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NC(CC)CCC)nc(OCC)n1
InChIInChI=1S/C14H27N5O/c1-5-9-11(7-3)16-13-17-12(15-10-6-2)18-14(19-13)20-8-4/h11H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyXTUKXFBAFZUXAM-UHFFFAOYSA-N
XLogP3.08
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
2-N-hexan-3-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80818293
N-hexan-3-yl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62859814
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
6-ethoxy-2-N-[2-[ethyl(methyl)amino]ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80832327
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296089
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80780311

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80817723) is 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NC(CC)CCC)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XTUKXFBAFZUXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-9-11(7-3)16-13-17-12(15-10-6-2)18-14(19-13)20-8-4/h11H,5-10H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.40 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-hexan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80817723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).