4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C14H22F2N4O — CID 103151169

IUPAC4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)F)nc(C2CCCCCC2)n1
InChIInChI=1S/C14H22F2N4O/c15-11(16)9-21-8-7-12-18-13(20-14(17)19-12)10-5-3-1-2-4-6-10/h10-11H,1-9H2,(H2,17,18,19,20)
InChIKeyZSHBJOUFAVQXAV-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.72
Rot. Bonds6

About 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151169) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151169
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)F)nc(C2CCCCCC2)n1
InChIInChI=1S/C14H22F2N4O/c15-11(16)9-21-8-7-12-18-13(20-14(17)19-12)10-5-3-1-2-4-6-10/h10-11H,1-9H2,(H2,17,18,19,20)
InChIKeyZSHBJOUFAVQXAV-UHFFFAOYSA-N
XLogP2.72
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.72
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-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55252118
4-Cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964959
4-Cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151163
4-Cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151164
4-Cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151165
4-Cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151166
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-Cycloheptyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
CID 55252116
4-Cycloheptyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63866848
4-Cycloheptyl-6-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 63868762
4-Cycloheptyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868763

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151169) is 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1nc(CCOCC(F)F)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is ZSHBJOUFAVQXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O/c15-11(16)9-21-8-7-12-18-13(20-14(17)19-12)10-5-3-1-2-4-6-10/h10-11H,1-9H2,(H2,17,18,19,20).
What are the key properties of 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 300.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).