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

C15H27N5O — CID 80821345

IUPACN-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(N2CCCCCC2C)n1
InChIInChI=1S/C15H27N5O/c1-4-11-21-15-18-13(16-5-2)17-14(19-15)20-10-8-6-7-9-12(20)3/h12H,4-11H2,1-3H3,(H,16,17,18,19)
InChIKeyTWAKDKJGLHJFHA-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds6

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

N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80821345) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80821345
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(N2CCCCCC2C)n1
InChIInChI=1S/C15H27N5O/c1-4-11-21-15-18-13(16-5-2)17-14(19-15)20-10-8-6-7-9-12(20)3/h12H,4-11H2,1-3H3,(H,16,17,18,19)
InChIKeyTWAKDKJGLHJFHA-UHFFFAOYSA-N
XLogP2.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

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Related Compounds

N-ethyl-4-(2-methylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80790959
4-ethoxy-N-ethyl-6-(2-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 83045624
4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80791929
4-ethoxy-N-ethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80776425
4-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80848798
N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 104693031
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
CID 114684040
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640734
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80810981
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674611
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 82751555

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine (CID 80821345) is N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NCC)nc(N2CCCCCC2C)n1.
What is the InChIKey of N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is TWAKDKJGLHJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-11-21-15-18-13(16-5-2)17-14(19-15)20-10-8-6-7-9-12(20)3/h12H,4-11H2,1-3H3,(H,16,17,18,19).
What are the key properties of N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80821345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).