N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine

C14H25N5O — CID 104693031

IUPACN-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(N2CCCCCC2CC)n1
InChIInChI=1S/C14H25N5O/c1-4-11-9-7-6-8-10-19(11)13-16-12(15-5-2)17-14(18-13)20-3/h11H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyDFKHBUHJVDAMRG-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.47
Rot. Bonds5

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

N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 104693031) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID104693031
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(N2CCCCCC2CC)n1
InChIInChI=1S/C14H25N5O/c1-4-11-9-7-6-8-10-19(11)13-16-12(15-5-2)17-14(18-13)20-3/h11H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyDFKHBUHJVDAMRG-UHFFFAOYSA-N
XLogP2.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640734
4-ethoxy-N-ethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80776425
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80774727
4-ethoxy-N-ethyl-6-(2-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 83045624
2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80775342
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80821345
[1-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794942
4-cyclopentyloxy-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844670
4-chloro-6-(2-ethylazepan-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 104693064
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 80774756
[4-methoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine (CID 104693031) is N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(N2CCCCCC2CC)n1.
What is the InChIKey of N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is DFKHBUHJVDAMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-11-9-7-6-8-10-19(11)13-16-12(15-5-2)17-14(18-13)20-3/h11H,4-10H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 279.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 104693031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).