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

C11H18ClN5 — CID 34882695

IUPAC4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C11H18ClN5/c1-16(2)10-13-9(12)14-11(15-10)17-7-5-3-4-6-8-17/h3-8H2,1-2H3
InChIKeyWIYLADICBMKOEC-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.97
Rot. Bonds2

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

4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 34882695) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID34882695
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C11H18ClN5/c1-16(2)10-13-9(12)14-11(15-10)17-7-5-3-4-6-8-17/h3-8H2,1-2H3
InChIKeyWIYLADICBMKOEC-UHFFFAOYSA-N
XLogP1.97
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 34882695) is 4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is WIYLADICBMKOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-16(2)10-13-9(12)14-11(15-10)17-7-5-3-4-6-8-17/h3-8H2,1-2H3.
What are the key properties of 4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 34882695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).