2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine

C18H32N6 — CID 129252641

IUPAC2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine
SMILESC1CC/N=C2/NC(C3CCCN4CCCN/C4=N/C3)CCN2CC1
InChIInChI=1S/C18H32N6/c1-2-8-20-18-22-16(7-13-24(18)10-3-1)15-6-4-11-23-12-5-9-19-17(23)21-14-15/h15-16H,1-14H2,(H,19,21)(H,20,22)
InChIKeyAVBOOBQJAKZBAW-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.25
Rot. Bonds1

About 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine

2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine (PubChem CID 129252641) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine.

Molecular Properties

Compound Name2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine
PubChem CID129252641
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC Name2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine
SMILESC1CC/N=C2/NC(C3CCCN4CCCN/C4=N/C3)CCN2CC1
InChIInChI=1S/C18H32N6/c1-2-8-20-18-22-16(7-13-24(18)10-3-1)15-6-4-11-23-12-5-9-19-17(23)21-14-15/h15-16H,1-14H2,(H,19,21)(H,20,22)
InChIKeyAVBOOBQJAKZBAW-UHFFFAOYSA-N
XLogP1.25
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine?
The IUPAC name of 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine (CID 129252641) is 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine.
What is the SMILES notation for 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine?
The canonical SMILES for 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine is C1CC/N=C2/NC(C3CCCN4CCCN/C4=N/C3)CCN2CC1.
What is the InChIKey of 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine?
The InChIKey is AVBOOBQJAKZBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-2-8-20-18-22-16(7-13-24(18)10-3-1)15-6-4-11-23-12-5-9-19-17(23)21-14-15/h15-16H,1-14H2,(H,19,21)(H,20,22).
What are the key properties of 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine?
2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine has a molecular weight of 332.50 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocin-9-yl)-2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a][1,3]diazocine is sourced from PubChem (CID 129252641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).