6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine

C17H29N5 — CID 67739772

IUPAC6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2(C3CCCCCC3)CCCCCC2)n1
InChIInChI=1S/C17H29N5/c18-15-20-14(21-16(19)22-15)17(11-7-3-4-8-12-17)13-9-5-1-2-6-10-13/h13H,1-12H2,(H4,18,19,20,21,22)
InChIKeyYZDAMRIQVHTDMA-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.60
Rot. Bonds2

About 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine

6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine (PubChem CID 67739772) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine
PubChem CID67739772
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2(C3CCCCCC3)CCCCCC2)n1
InChIInChI=1S/C17H29N5/c18-15-20-14(21-16(19)22-15)17(11-7-3-4-8-12-17)13-9-5-1-2-6-10-13/h13H,1-12H2,(H4,18,19,20,21,22)
InChIKeyYZDAMRIQVHTDMA-UHFFFAOYSA-N
XLogP3.60
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine (CID 67739772) is 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2(C3CCCCCC3)CCCCCC2)n1.
What is the InChIKey of 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YZDAMRIQVHTDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c18-15-20-14(21-16(19)22-15)17(11-7-3-4-8-12-17)13-9-5-1-2-6-10-13/h13H,1-12H2,(H4,18,19,20,21,22).
What are the key properties of 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine?
6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 303.45 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cycloheptylcycloheptyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67739772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).