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

C13H22ClN5 — CID 14813052

IUPAC4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H22ClN5/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-9-7-5-6-8-10-19/h3-10H2,1-2H3
InChIKeyCGXPPWNQGIDSTI-UHFFFAOYSA-N
MW283.81 g/mol
LogP2.75
Rot. Bonds4

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

4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 14813052) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID14813052
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCCCCC2)n1
InChIInChI=1S/C13H22ClN5/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-9-7-5-6-8-10-19/h3-10H2,1-2H3
InChIKeyCGXPPWNQGIDSTI-UHFFFAOYSA-N
XLogP2.75
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Azepine, 1-(4,6-dichloro-1,3,5-triazin-2-yl)hexahydro-
CID 3062483
1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)azepane
CID 818684
N,N-dibutyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 15355831
2,6-Diazaperhydroepinyl-4-chloro-1,3,5-triazine
CID 745256
1,3,5-Triazine-2,4-diamine, N2,N2,N4,N4-tetrabutyl-6-chloro-
CID 3750346
1-[4,6-Bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane
CID 1069193
4-chloro-N,N-diethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 14813048
6-(Azepan-1-yl)-1,3,5-triazine-2,4-diamine
CID 53648269
2-N,4-N-dibutyl-6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 53700990
Hexyl-methylmelamine
CID 69049716
4,6-Dichloro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 10520613
4,6-difluoro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 54181313

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine (CID 14813052) is 4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is CGXPPWNQGIDSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-3-18(4-2)12-15-11(14)16-13(17-12)19-9-7-5-6-8-10-19/h3-10H2,1-2H3.
What are the key properties of 4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 283.81 g/mol, XLogP of 2.75, 4 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-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 14813052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).