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

C15H26N4O2 — CID 102929314

IUPAC4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCOCCOCCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C15H26N4O2/c1-20-10-11-21-9-8-13-17-14(19-15(16)18-13)12-6-4-2-3-5-7-12/h12H,2-11H2,1H3,(H2,16,17,18,19)
InChIKeyBRZGOFQYFWDBDD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds7

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

4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 102929314) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID102929314
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESCOCCOCCc1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C15H26N4O2/c1-20-10-11-21-9-8-13-17-14(19-15(16)18-13)12-6-4-2-3-5-7-12/h12H,2-11H2,1H3,(H2,16,17,18,19)
InChIKeyBRZGOFQYFWDBDD-UHFFFAOYSA-N
XLogP2.10
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine (CID 102929314) is 4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine is COCCOCCc1nc(N)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is BRZGOFQYFWDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-20-10-11-21-9-8-13-17-14(19-15(16)18-13)12-6-4-2-3-5-7-12/h12H,2-11H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine?
4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 294.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 102929314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).