4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine

C13H22ClN5 — CID 65282191

IUPAC4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCCC(C)(C)CC2)n1
InChIInChI=1S/C13H22ClN5/c1-13(2)6-5-8-19(9-7-13)12-16-10(14)15-11(17-12)18(3)4/h5-9H2,1-4H3
InChIKeyUEJDZPHJJDBHRE-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.61
Rot. Bonds2

About 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 65282191) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID65282191
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCCC(C)(C)CC2)n1
InChIInChI=1S/C13H22ClN5/c1-13(2)6-5-8-19(9-7-13)12-16-10(14)15-11(17-12)18(3)4/h5-9H2,1-4H3
InChIKeyUEJDZPHJJDBHRE-UHFFFAOYSA-N
XLogP2.61
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 65282191) is 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(N2CCCC(C)(C)CC2)n1.
What is the InChIKey of 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is UEJDZPHJJDBHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-13(2)6-5-8-19(9-7-13)12-16-10(14)15-11(17-12)18(3)4/h5-9H2,1-4H3.
What are the key properties of 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 283.81 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65282191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).