N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine

C14H26N4O2 — CID 80861519

IUPACN-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(OCCCC(C)C)n1
InChIInChI=1S/C14H26N4O2/c1-5-9-19-13-16-12(15-6-2)17-14(18-13)20-10-7-8-11(3)4/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyAXRMWZPMQYTBPR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.91
Rot. Bonds10

About N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine

N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80861519) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80861519
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(OCCCC(C)C)n1
InChIInChI=1S/C14H26N4O2/c1-5-9-19-13-16-12(15-6-2)17-14(18-13)20-10-7-8-11(3)4/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyAXRMWZPMQYTBPR-UHFFFAOYSA-N
XLogP2.91
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80859393
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
N-ethyl-4-methoxy-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80858244
5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138247
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
N-ethyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861141

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine (CID 80861519) is N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NCC)nc(OCCCC(C)C)n1.
What is the InChIKey of N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is AXRMWZPMQYTBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-9-19-13-16-12(15-6-2)17-14(18-13)20-10-7-8-11(3)4/h11H,5-10H2,1-4H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine?
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).