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

C11H20N2 — CID 137448239

IUPAC11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
SMILESCC1CCCCCN2CCCN=C12
InChIInChI=1S/C11H20N2/c1-10-6-3-2-4-8-13-9-5-7-12-11(10)13/h10H,2-9H2,1H3
InChIKeySHAVLKAICHDUGE-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.30
Rot. Bonds

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

11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine (PubChem CID 137448239) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine.

Molecular Properties

Compound Name11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
PubChem CID137448239
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine
SMILESCC1CCCCCN2CCCN=C12
InChIInChI=1S/C11H20N2/c1-10-6-3-2-4-8-13-9-5-7-12-11(10)13/h10H,2-9H2,1H3
InChIKeySHAVLKAICHDUGE-UHFFFAOYSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-10-yl)propan-2-ol
CID 66808112
7,7,8-trimethyl-3,4,6,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidine
CID 23050697
2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
CID 103281677
10-cyclopropyl-9-methyl-2,3,4,5,6,7,8,9-octahydroazecine
CID 170206995
methylcyclohexane;1-phenylpiperidine
CID 174582589
1-methyl-2-piperidin-4-yl-5,6-dihydro-4H-pyrimidine
CID 84658187
acetic acid;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 22623619
N,N-diethylethanamine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 67662818
methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158500859
2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 157342676
cyclopentane;ethane;methylcyclohexane;1-methylpiperidine
CID 167573510
3-cyclopentyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117153179

Frequently Asked Questions

What is the IUPAC name of 11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine?
The IUPAC name of 11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine (CID 137448239) is 11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine.
What is the SMILES notation for 11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine?
The canonical SMILES for 11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine is CC1CCCCCN2CCCN=C12.
What is the InChIKey of 11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine?
The InChIKey is SHAVLKAICHDUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-6-3-2-4-8-13-9-5-7-12-11(10)13/h10H,2-9H2,1H3.
What are the key properties of 11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine?
11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine has a molecular weight of 180.29 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-3,4,6,7,8,9,10,11-octahydro-2H-pyrimido[1,2-a]azocine is sourced from PubChem (CID 137448239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).