N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine

C11H16N4O3 — CID 117059096

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine
SMILESCOc1nc(OC)nc(ONC2=CCCCC2)n1
InChIInChI=1S/C11H16N4O3/c1-16-9-12-10(17-2)14-11(13-9)18-15-8-6-4-3-5-7-8/h6,15H,3-5,7H2,1-2H3
InChIKeyNGIXYQQNYJMXOQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.23
Rot. Bonds5

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine (PubChem CID 117059096) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine
PubChem CID117059096
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine
SMILESCOc1nc(OC)nc(ONC2=CCCCC2)n1
InChIInChI=1S/C11H16N4O3/c1-16-9-12-10(17-2)14-11(13-9)18-15-8-6-4-3-5-7-8/h6,15H,3-5,7H2,1-2H3
InChIKeyNGIXYQQNYJMXOQ-UHFFFAOYSA-N
XLogP1.23
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4,6-bis[(cycloocten-1-ylamino)oxy]-1,3,5-triazin-2-yl]oxy]cycloocten-1-amine
CID 90930542
N-[[4-chloro-6-(cyclotridecen-1-ylamino)oxy-1,3,5-triazin-2-yl]oxy]cyclotridecen-1-amine
CID 91221238
N-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]cyclotridecen-1-amine
CID 91521077
N-[2-(cyclododecen-1-ylamino)oxypyrimidin-4-yl]oxycyclododecen-1-amine
CID 91121268
N-trimethylsilyloxycyclopenten-1-amine
CID 91482678
N-but-2-ynoxycyclohexen-1-amine
CID 91804644
N-(2-aminoethoxy)cyclohexen-1-amine
CID 90726751
1-(cyclohepten-1-yl)-2-methylhydrazine
CID 19049041
(1E)-1-methoxycyclotridecene
CID 5463530
(1E)-1-methoxycyclotetradecene
CID 164771746
3-(cyclohexen-1-ylamino)oxypropanoic acid
CID 57306132
N-[1-[6-[1-(cyclohexen-1-ylamino)ethyl]-2-pyridinyl]ethyl]cyclohexen-1-amine
CID 91462052

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine (CID 117059096) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine is COc1nc(OC)nc(ONC2=CCCCC2)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine?
The InChIKey is NGIXYQQNYJMXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-16-9-12-10(17-2)14-11(13-9)18-15-8-6-4-3-5-7-8/h6,15H,3-5,7H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine has a molecular weight of 252.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]cyclohexen-1-amine is sourced from PubChem (CID 117059096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).