(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane

C138H288N16 — CID 161005480

About (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane

(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane (PubChem CID 161005480) has the molecular formula C138H288N16 and a molecular weight of 2171.93 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane.

Molecular Properties

• Compound Name: (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane
• PubChem CID: 161005480
• Molecular Formula: C138H288N16
• Molecular Weight: 2171.93 g/mol
• Exact Mass: 2170.30
• IUPAC Name: (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane
• SMILES: CC(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CCC.CCC.C[C@@H]1CCCN(C(C)(C)C)C1.C[C@H]1CCCN(C(C)(C)C)C1
• InChI: InChI=1S/C16H32N2.2C15H30N2.2C14H28N2.C13H27N.C12H26N2.2C10H21N.C8H17N.C5H12.2C3H8/c1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-13(2,3)16-9-7-15(11-16)8-10-17(12-15)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-12(2,3)15-8-7-14(9-15)10-16(11-14)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;2*1-9-6-5-7-11(8-9)10(2,3)4;1-8(2,3)9-6-4-5-7-9;1-5(2,3)4;2*1-3-2/h7-13H2,1-6H3;2*7-12H2,1-6H3;11-12H,7-10H2,1-6H3;7-11H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;2*9H,5-8H2,1-4H3;4-7H2,1-3H3;1-4H3;2*3H2,1-2H3/t;;;;;;;2*9-;;;;/m.......10..../s1
• InChIKey: TWLDLJKKTOOOHR-SVGOHUBWSA-N
• XLogP: 31.92
• TPSA: 51.84 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2171.93
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane?

The IUPAC name of (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane (CID 161005480) is (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane.

What is the SMILES notation for (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane?

The canonical SMILES for (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane is CC(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CC2CN(C(C)(C)C)CC2C1.CC(C)(C)N1CCC2(C1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2(CCN(C(C)(C)C)C2)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CCC.CCC.C[C@@H]1CCCN(C(C)(C)C)C1.C[C@H]1CCCN(C(C)(C)C)C1.

What is the InChIKey of (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane?

The InChIKey is TWLDLJKKTOOOHR-SVGOHUBWSA-N. The full InChI is InChI=1S/C16H32N2.2C15H30N2.2C14H28N2.C13H27N.C12H26N2.2C10H21N.C8H17N.C5H12.2C3H8/c1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-13(2,3)16-9-7-15(11-16)8-10-17(12-15)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;1-13(2,3)15-7-11-9-16(14(4,5)6)10-12(11)8-15;1-12(2,3)15-8-7-14(9-15)10-16(11-14)13(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;2*1-9-6-5-7-11(8-9)10(2,3)4;1-8(2,3)9-6-4-5-7-9;1-5(2,3)4;2*1-3-2/h7-13H2,1-6H3;2*7-12H2,1-6H3;11-12H,7-10H2,1-6H3;7-11H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3;2*9H,5-8H2,1-4H3;4-7H2,1-3H3;1-4H3;2*3H2,1-2H3/t;;;;;;;2*9-;;;;/m.......10..../s1.

What are the key properties of (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane?

(3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane has a molecular weight of 2171.93 g/mol, XLogP of 31.92, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-tert-butyl-3-methylpiperidine;(3R)-1-tert-butyl-3-methylpiperidine;1-tert-butylpyrrolidine;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane;2,7-ditert-butyl-2,7-diazaspiro[4.4]nonane;2,7-ditert-butyl-2,7-diazaspiro[3.4]octane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;2,2-dimethylpropane;propane is sourced from PubChem (CID 161005480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).