N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C15H27N5O — CID 80842497

IUPACN-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-5-6-9-12-21-15-18-13(16-4-2)17-14(19-15)20-10-7-8-11-20/h3-12H2,1-2H3,(H,16,17,18,19)
InChIKeyFBDNECLXCZJBNM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds9

About N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80842497) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80842497
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-5-6-9-12-21-15-18-13(16-4-2)17-14(19-15)20-10-7-8-11-20/h3-12H2,1-2H3,(H,16,17,18,19)
InChIKeyFBDNECLXCZJBNM-UHFFFAOYSA-N
XLogP2.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.86
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-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80879166
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
4-cyclopentyloxy-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844670
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674611
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795533
4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80790722

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80842497) is N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCCCCCOc1nc(NCC)nc(N2CCCC2)n1.
What is the InChIKey of N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FBDNECLXCZJBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-5-6-9-12-21-15-18-13(16-4-2)17-14(19-15)20-10-7-8-11-20/h3-12H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80842497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).