3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine

C10H18N2 — CID 12713370

IUPAC3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
SMILESC1CCCN2CCCN=C2CC1
InChIInChI=1S/C10H18N2/c1-2-4-8-12-9-5-7-11-10(12)6-3-1/h1-9H2
InChIKeyBIUZELMZLLZWOS-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.05
Rot. Bonds

About 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine

3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine (PubChem CID 12713370) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine.

Molecular Properties

Compound Name3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
PubChem CID12713370
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
SMILESC1CCCN2CCCN=C2CC1
InChIInChI=1S/C10H18N2/c1-2-4-8-12-9-5-7-11-10(12)6-3-1/h1-9H2
InChIKeyBIUZELMZLLZWOS-UHFFFAOYSA-N
XLogP2.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,14-Diazabicyclo[11.4.0]heptadec-13-ene
CID 12713372
1,2,3,4,6,7,8,9,10,11-Decahydropyrimido[1,2-a]azocin-5-ium
CID 139225765
1-Ethyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 11232773
2,3,5,6,7,8,9,10-Octahydroimidazo[1,2-a]azocine
CID 12533827
1-Propyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 13717936
1-Butyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 13717938
1-Pentyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 13717940
1-Hexyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 13717942
1-Heptyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 13717944
1-methyl-2-octyl-5,6-dihydro-4H-pyrimidine
CID 20277932
2-butyl-1-methyl-5,6-dihydro-4H-pyrimidine
CID 20277933
1-ethyl-2-octyl-5,6-dihydro-4H-pyrimidine
CID 20277936

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine?
The IUPAC name of 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine (CID 12713370) is 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine.
What is the SMILES notation for 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine?
The canonical SMILES for 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine is C1CCCN2CCCN=C2CC1.
What is the InChIKey of 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine?
The InChIKey is BIUZELMZLLZWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-4-8-12-9-5-7-11-10(12)6-3-1/h1-9H2.
What are the key properties of 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine?
3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine has a molecular weight of 166.27 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine is sourced from PubChem (CID 12713370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).