(3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine

C122H230N14O — CID 167676585

IUPAC(3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine
SMILESC.C1CCC(CCN2CC3(CCC3)C2)CC1.C1CCN(CC2CC23CCCCC3)CC1.C1CCN(CC2CC3(CCCCC3)C2)CC1.CC#CCN1CCN(CCC)CC1.CC1CC(N(C(C)C)C2CCN(C)CC2)C1.CC1CC(N(CC2CCN(C)CC2)C(C)C)C1.CCCCN1C[C@H]2CN(C)C[C@H]2C1.CN1CC2(CC(CCN3CCCCC3)C2)C1.O=C(CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H30N2.C15H27N.C14H26N2.C14H28N2.2C14H25N.C13H23NO.C11H22N2.C11H20N2.CH4/c1-12(2)17(15-9-13(3)10-15)11-14-5-7-16(4)8-6-14;1-3-7-15(8-4-1)11-14(12-15)13-16-9-5-2-6-10-16;1-15-11-14(12-15)9-13(10-14)5-8-16-6-3-2-4-7-16;1-11(2)16(14-9-12(3)10-14)13-5-7-15(4)8-6-13;1-3-7-14(8-4-1)11-13(14)12-15-9-5-2-6-10-15;1-2-5-13(6-3-1)7-10-15-11-14(12-15)8-4-9-14;15-13(14-9-5-2-6-10-14)11-12-7-3-1-4-8-12;1-3-4-5-13-8-10-6-12(2)7-11(10)9-13;1-3-5-7-13-10-8-12(6-4-2)9-11-13;/h12-15H,5-11H2,1-4H3;14H,1-13H2;13H,2-12H2,1H3;11-14H,5-10H2,1-4H3;2*13H,1-12H2;12H,1-11H2;10-11H,3-9H2,1-2H3;4,6-11H2,1-2H3;1H4/t;;;;;;;10-,11+;;
InChIKeyUXDXZUCWHRTRLH-HWPKEYIBSA-N
MW1909.28 g/mol
LogP24.27
Rot. Bonds25

About (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine

(3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine (PubChem CID 167676585) has the molecular formula C122H230N14O and a molecular weight of 1909.28 g/mol. Its IUPAC name is (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name(3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine
PubChem CID167676585
Molecular FormulaC122H230N14O
Molecular Weight1909.28 g/mol
Exact Mass1907.84
IUPAC Name(3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine
SMILESC.C1CCC(CCN2CC3(CCC3)C2)CC1.C1CCN(CC2CC23CCCCC3)CC1.C1CCN(CC2CC3(CCCCC3)C2)CC1.CC#CCN1CCN(CCC)CC1.CC1CC(N(C(C)C)C2CCN(C)CC2)C1.CC1CC(N(CC2CCN(C)CC2)C(C)C)C1.CCCCN1C[C@H]2CN(C)C[C@H]2C1.CN1CC2(CC(CCN3CCCCC3)C2)C1.O=C(CC1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H30N2.C15H27N.C14H26N2.C14H28N2.2C14H25N.C13H23NO.C11H22N2.C11H20N2.CH4/c1-12(2)17(15-9-13(3)10-15)11-14-5-7-16(4)8-6-14;1-3-7-15(8-4-1)11-14(12-15)13-16-9-5-2-6-10-16;1-15-11-14(12-15)9-13(10-14)5-8-16-6-3-2-4-7-16;1-11(2)16(14-9-12(3)10-14)13-5-7-15(4)8-6-13;1-3-7-14(8-4-1)11-13(14)12-15-9-5-2-6-10-15;1-2-5-13(6-3-1)7-10-15-11-14(12-15)8-4-9-14;15-13(14-9-5-2-6-10-14)11-12-7-3-1-4-8-12;1-3-4-5-13-8-10-6-12(2)7-11(10)9-13;1-3-5-7-13-10-8-12(6-4-2)9-11-13;/h12-15H,5-11H2,1-4H3;14H,1-13H2;13H,2-12H2,1H3;11-14H,5-10H2,1-4H3;2*13H,1-12H2;12H,1-11H2;10-11H,3-9H2,1-2H3;4,6-11H2,1-2H3;1H4/t;;;;;;;10-,11+;;
InChIKeyUXDXZUCWHRTRLH-HWPKEYIBSA-N
XLogP24.27
TPSA62.43 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001909.28
LogP ≤ 524.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine 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-Tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 167538409
1-Tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]azetidine;1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperazine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;3-tert-butyl-1-(4-tert-butyl-4-methylcyclohexyl)azetidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(5,5-dimethylhexyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 167549736

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine?
The IUPAC name of (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine (CID 167676585) is (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine.
What is the SMILES notation for (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine?
The canonical SMILES for (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine is C.C1CCC(CCN2CC3(CCC3)C2)CC1.C1CCN(CC2CC23CCCCC3)CC1.C1CCN(CC2CC3(CCCCC3)C2)CC1.CC#CCN1CCN(CCC)CC1.CC1CC(N(C(C)C)C2CCN(C)CC2)C1.CC1CC(N(CC2CCN(C)CC2)C(C)C)C1.CCCCN1C[C@H]2CN(C)C[C@H]2C1.CN1CC2(CC(CCN3CCCCC3)C2)C1.O=C(CC1CCCCC1)N1CCCCC1.
What is the InChIKey of (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine?
The InChIKey is UXDXZUCWHRTRLH-HWPKEYIBSA-N. The full InChI is InChI=1S/C15H30N2.C15H27N.C14H26N2.C14H28N2.2C14H25N.C13H23NO.C11H22N2.C11H20N2.CH4/c1-12(2)17(15-9-13(3)10-15)11-14-5-7-16(4)8-6-14;1-3-7-15(8-4-1)11-14(12-15)13-16-9-5-2-6-10-16;1-15-11-14(12-15)9-13(10-14)5-8-16-6-3-2-4-7-16;1-11(2)16(14-9-12(3)10-14)13-5-7-15(4)8-6-13;1-3-7-14(8-4-1)11-13(14)12-15-9-5-2-6-10-15;1-2-5-13(6-3-1)7-10-15-11-14(12-15)8-4-9-14;15-13(14-9-5-2-6-10-14)11-12-7-3-1-4-8-12;1-3-4-5-13-8-10-6-12(2)7-11(10)9-13;1-3-5-7-13-10-8-12(6-4-2)9-11-13;/h12-15H,5-11H2,1-4H3;14H,1-13H2;13H,2-12H2,1H3;11-14H,5-10H2,1-4H3;2*13H,1-12H2;12H,1-11H2;10-11H,3-9H2,1-2H3;4,6-11H2,1-2H3;1H4/t;;;;;;;10-,11+;;.
What are the key properties of (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine?
(3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine has a molecular weight of 1909.28 g/mol, XLogP of 24.27, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-but-2-ynyl-4-propylpiperazine;2-(2-cyclohexylethyl)-2-azaspiro[3.3]heptane;2-cyclohexyl-1-piperidin-1-ylethanone;methane;1-methyl-N-(3-methylcyclobutyl)-N-propan-2-ylpiperidin-4-amine;3-methyl-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine;2-methyl-6-(2-piperidin-1-ylethyl)-2-azaspiro[3.3]heptane;1-(spiro[3.5]nonan-2-ylmethyl)piperidine;1-(spiro[2.5]octan-2-ylmethyl)piperidine is sourced from PubChem (CID 167676585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).