N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine

C14H22N4O2 — CID 80867873

IUPACN-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(OCC2CC=CCC2C)n1
InChIInChI=1S/C14H22N4O2/c1-4-15-12-16-13(19-3)18-14(17-12)20-9-11-8-6-5-7-10(11)2/h5-6,10-11H,4,7-9H2,1-3H3,(H,15,16,17,18)
InChIKeyZXKMSQQXWFLHCE-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.29
Rot. Bonds6

About N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine

N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine (PubChem CID 80867873) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine
PubChem CID80867873
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(OCC2CC=CCC2C)n1
InChIInChI=1S/C14H22N4O2/c1-4-15-12-16-13(19-3)18-14(17-12)20-9-11-8-6-5-7-10(11)2/h5-6,10-11H,4,7-9H2,1-3H3,(H,15,16,17,18)
InChIKeyZXKMSQQXWFLHCE-UHFFFAOYSA-N
XLogP2.29
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80871890
3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80866003
N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868544
2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774290
N-ethyl-4-methoxy-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80858244
4-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-2-amine
CID 80868869
N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine
CID 106669087
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 80830005
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
CID 80847841
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine (CID 80867873) is N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(OCC2CC=CCC2C)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine?
The InChIKey is ZXKMSQQXWFLHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-15-12-16-13(19-3)18-14(17-12)20-9-11-8-6-5-7-10(11)2/h5-6,10-11H,4,7-9H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).