1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine

C113H236N14 — CID 159641961

IUPAC1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN(C(C)C)C1.CC(C)CC1CCCN1C(C)C.CC(C)CC1CCN(C(C)C)C1.CC(C)N1CC2CCCN(C(C)C)C2C1.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C13H26N2.C12H25N.C11H24N2.4C11H23N.C10H22N2.C10H21N/c1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-10(2)14-8-12-6-5-7-15(11(3)4)13(12)9-14;1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)7-11-5-6-12(8-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4/h2*10-13H,5-9H2,1-4H3;10-12H,5-9H2,1-4H3;9-11H,6-8H2,1-5H3;4*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3
InChIKeyMQLWZSBRAVZFEX-UHFFFAOYSA-N
MW1791.23 g/mol
LogP24.21
Rot. Bonds23

About 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine

1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine (PubChem CID 159641961) has the molecular formula C113H236N14 and a molecular weight of 1791.23 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
PubChem CID159641961
Molecular FormulaC113H236N14
Molecular Weight1791.23 g/mol
Exact Mass1789.89
IUPAC Name1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN(C(C)C)C1.CC(C)CC1CCCN1C(C)C.CC(C)CC1CCN(C(C)C)C1.CC(C)N1CC2CCCN(C(C)C)C2C1.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/2C13H26N2.C12H25N.C11H24N2.4C11H23N.C10H22N2.C10H21N/c1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-10(2)14-8-12-6-5-7-15(11(3)4)13(12)9-14;1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)7-11-5-6-12(8-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4/h2*10-13H,5-9H2,1-4H3;10-12H,5-9H2,1-4H3;9-11H,6-8H2,1-5H3;4*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3
InChIKeyMQLWZSBRAVZFEX-UHFFFAOYSA-N
XLogP24.21
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001791.23
LogP ≤ 524.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine 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

1,4-di(propan-2-yl)piperidine;2-methylpropylcyclohexane;propan-2-ylcyclohexane
CID 162072705
3,5-dimethyl-1-propan-2-ylpiperidine;1,3-di(propan-2-yl)piperidine;bis(4-ethyl-1-propan-2-ylpiperidine);3-ethyl-1-propan-2-ylpyrrolidine;methane;3-methyl-1-propan-2-ylpiperidine;bis(4-methyl-1-propan-2-ylpiperidine);3-(2-methylpropyl)-1-propan-2-ylpiperidine;1-propan-2-ylazepane;1-propan-2-ylazetidine;bis(1-propan-2-ylpiperidine);1-propan-2-yl-4-propylpiperidine;1-propan-2-ylpyrrolidine
CID 159988029
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;ethane;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 160733353
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
(2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291233
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
bis(1,4-di(propan-2-yl)azepane);bis(1,2-di(propan-2-yl)azetidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 164980756
3-[2-[3-[2-(azetidin-1-yl)propyl]pyrrolidin-1-yl]propyl]-1-propan-2-ylpiperidine
CID 146610244
(5R)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291275
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
1,1-difluoroethane;bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);hexakis(1,4-di(propan-2-yl)piperazine);bis(1,3-di(propan-2-yl)piperidine);ethane;fluoromethane;methoxyethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine)
CID 164983686

Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine (CID 159641961) is 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine is CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN(C(C)C)C1.CC(C)CC1CCCN1C(C)C.CC(C)CC1CCN(C(C)C)C1.CC(C)N1CC2CCCN(C(C)C)C2C1.CC(C)N1CCC2CN(C(C)C)CC2C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
The InChIKey is MQLWZSBRAVZFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2.C12H25N.C11H24N2.4C11H23N.C10H22N2.C10H21N/c1-10(2)14-6-5-12-7-15(11(3)4)9-13(12)8-14;1-10(2)14-8-12-6-5-7-15(11(3)4)13(12)9-14;1-10(2)8-12-6-5-7-13(9-12)11(3)4;1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)7-11-5-6-12(8-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4/h2*10-13H,5-9H2,1-4H3;10-12H,5-9H2,1-4H3;9-11H,6-8H2,1-5H3;4*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3.
What are the key properties of 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine?
1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine has a molecular weight of 1791.23 g/mol, XLogP of 24.21, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159641961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).