2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane

C44H88N8 — CID 158801778

IUPAC2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCNC2(CCCC2)C1.CC(C)N1CCNC2(CCCCC2)C1
InChIInChI=1S/C12H24N2.2C11H22N2.C10H20N2/c1-11(2)14-9-8-13-12(10-14)6-4-3-5-7-12;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-10(2)13-8-7-12-11(9-13)5-3-4-6-11;1-9(2)12-7-6-11-5-3-4-10(11)8-12/h11,13H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10,12H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyITOQAUQMIPMBBR-UHFFFAOYSA-N
MW729.24 g/mol
LogP6.36
Rot. Bonds4

About 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane

2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 158801778) has the molecular formula C44H88N8 and a molecular weight of 729.24 g/mol. Its IUPAC name is 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID158801778
Molecular FormulaC44H88N8
Molecular Weight729.24 g/mol
Exact Mass728.71
IUPAC Name2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCNC2(CCCC2)C1.CC(C)N1CCNC2(CCCCC2)C1
InChIInChI=1S/C12H24N2.2C11H22N2.C10H20N2/c1-11(2)14-9-8-13-12(10-14)6-4-3-5-7-12;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-10(2)13-8-7-12-11(9-13)5-3-4-6-11;1-9(2)12-7-6-11-5-3-4-10(11)8-12/h11,13H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10,12H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyITOQAUQMIPMBBR-UHFFFAOYSA-N
XLogP6.36
TPSA43.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.24
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane 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

3-methyl-1-propan-2-ylpiperazine;bis(3-methyl-1-propan-2-ylpiperidine);3-methyl-1-propan-2-ylpyrrolidine;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 158042847
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159314786
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;methane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159363688
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159931852

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 158801778) is 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)N1CCN2CCCC2C1.CC(C)N1CCN2CCCCC2C1.CC(C)N1CCNC2(CCCC2)C1.CC(C)N1CCNC2(CCCCC2)C1.
What is the InChIKey of 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is ITOQAUQMIPMBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2C11H22N2.C10H20N2/c1-11(2)14-9-8-13-12(10-14)6-4-3-5-7-12;1-10(2)13-8-7-12-6-4-3-5-11(12)9-13;1-10(2)13-8-7-12-11(9-13)5-3-4-6-11;1-9(2)12-7-6-11-5-3-4-10(11)8-12/h11,13H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;10,12H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane?
2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 729.24 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;9-propan-2-yl-6,9-diazaspiro[4.5]decane;4-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 158801778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).