1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane

C21H36N6 — CID 1069193

IUPAC1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane
SMILESC1CCCN(c2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)CC1
InChIInChI=1S/C21H36N6/c1-2-8-14-25(13-7-1)19-22-20(26-15-9-3-4-10-16-26)24-21(23-19)27-17-11-5-6-12-18-27/h1-18H2
InChIKeySGSMJBWRYWJJFB-UHFFFAOYSA-N
MW372.56 g/mol
LogP4.01
Rot. Bonds3

About 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane

1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane (PubChem CID 1069193) has the molecular formula C21H36N6 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane.

Molecular Properties

Compound Name1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane
PubChem CID1069193
Molecular FormulaC21H36N6
Molecular Weight372.56 g/mol
Exact Mass372.30
IUPAC Name1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane
SMILESC1CCCN(c2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)CC1
InChIInChI=1S/C21H36N6/c1-2-8-14-25(13-7-1)19-22-20(26-15-9-3-4-10-16-26)24-21(23-19)27-17-11-5-6-12-18-27/h1-18H2
InChIKeySGSMJBWRYWJJFB-UHFFFAOYSA-N
XLogP4.01
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Diazaperhydroepinyl-4-methoxy-1,3,5-triazine
CID 648148
2,6-Diazaperhydroepinyl-4-chloro-1,3,5-triazine
CID 745256
6-(Azepan-1-yl)-1,3,5-triazine-2,4-diamine
CID 53648269
1-[4-(Azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-4-propyl-1,4-diazepane
CID 72107521
4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 14813052
6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 67414391
4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
CID 138705223
1-(azepan-1-yl)-N-[4,6-bis(azepan-1-ylmethylideneamino)-1,3,5-triazin-2-yl]methanimine
CID 151245556
4-N,4-N-dibutyl-6-N,6-N-diethyl-2-N,2-N-dihexyl-1,3,5-triazine-2,4,6-triamine
CID 154143236
2-N,2-N,4-N,4-N,6-N,6-N-hexahexyl-1,3,5-triazine-2,4,6-triamine
CID 154256364
4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 34882695
6-(azepan-1-yl)-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80764093

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane?
The IUPAC name of 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane (CID 1069193) is 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane.
What is the SMILES notation for 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane?
The canonical SMILES for 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane is C1CCCN(c2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)CC1.
What is the InChIKey of 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane?
The InChIKey is SGSMJBWRYWJJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6/c1-2-8-14-25(13-7-1)19-22-20(26-15-9-3-4-10-16-26)24-21(23-19)27-17-11-5-6-12-18-27/h1-18H2.
What are the key properties of 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane?
1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane has a molecular weight of 372.56 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane is sourced from PubChem (CID 1069193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).