4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine

C14H24N4O — CID 55252116

IUPAC4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C14H24N4O/c1-2-9-19-10-12-16-13(18-14(15)17-12)11-7-5-3-4-6-8-11/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyZOWSZGHEGFWBNG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.82
Rot. Bonds5

About 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 55252116) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
PubChem CID55252116
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
SMILESCCCOCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C14H24N4O/c1-2-9-19-10-12-16-13(18-14(15)17-12)11-7-5-3-4-6-8-11/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyZOWSZGHEGFWBNG-UHFFFAOYSA-N
XLogP2.82
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151169
4-Cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476942
4-Cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476944
4-Ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine
CID 175220818
4-Cycloheptyl-6-propyl-1,3,5-triazin-2-amine
CID 63866849
4-Cycloheptyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine
CID 63867328
4-Cycloheptyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 63867478
4-Butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine
CID 63867923
4-Cycloheptyl-6-(3-methylbutyl)-1,3,5-triazin-2-amine
CID 63867926
4-Cycloheptyl-6-ethyl-1,3,5-triazin-2-amine
CID 63868071
4-Cycloheptyl-6-methyl-1,3,5-triazin-2-amine
CID 63868073
4-Cyclopentyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868622

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine (CID 55252116) is 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine is CCCOCc1nc(N)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZOWSZGHEGFWBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-9-19-10-12-16-13(18-14(15)17-12)11-7-5-3-4-6-8-11/h11H,2-10H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55252116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).