6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C11H20N6 — CID 67414391

IUPAC6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(N2CCCCCC2)n1
InChIInChI=1S/C11H20N6/c1-16(2)10-13-9(12)14-11(15-10)17-7-5-3-4-6-8-17/h3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyOUUUNSXDPJJEGI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.90
Rot. Bonds2

About 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 67414391) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID67414391
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(N2CCCCCC2)n1
InChIInChI=1S/C11H20N6/c1-16(2)10-13-9(12)14-11(15-10)17-7-5-3-4-6-8-17/h3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyOUUUNSXDPJJEGI-UHFFFAOYSA-N
XLogP0.90
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 67414391) is 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OUUUNSXDPJJEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-16(2)10-13-9(12)14-11(15-10)17-7-5-3-4-6-8-17/h3-8H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67414391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).