3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine

C163H316N22O4 — CID 161486430

About 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine

3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 161486430) has the molecular formula C163H316N22O4 and a molecular weight of 2648.47 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

• Compound Name: 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
• PubChem CID: 161486430
• Molecular Formula: C163H316N22O4
• Molecular Weight: 2648.47 g/mol
• Exact Mass: 2646.52
• IUPAC Name: 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
• SMILES: C.C#CC1(C)CCN(C(C)C)C1.C#CC1CCN(C(C)C)CC1.CC(C)N1CC(CO)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CC[C@@H](C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1C[C@H](N)CN1C(C)C.CN[C@@H]1CCCN(C(C)C)C1.CN[C@@H]1CCN(C(C)C)C1
• InChI: InChI=1S/C13H19NO.C13H19N.C12H24N2.C11H16N2O.2C10H17N.2C9H20N2.4C9H19N.C8H18N2.C8H17NO.2C8H17N.C7H15NO.CH4/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-5-10(4)6-7-11(8-10)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)11-6-4-5-9(7-11)10-3;1-4-9-5-8(10)6-11(9)7(2)3;2*1-8(2)10-6-4-9(3)5-7-10;2*1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-4-8(6-10)9-3;1-7(2)9-5-3-4-8(10)6-9;1-7(2)9-5-4-8(3)6-9;1-4-8-5-9(6-8)7(2)3;1-6(2)8-3-7(4-8)5-9;/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;1,9H,6-8H2,2-4H3;1,9-10H,5-8H2,2-3H3;8-10H,4-7H2,1-3H3;7-9H,4-6,10H2,1-3H3;4*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;1H4/t;;12-;;;;9-;8-,9+;;;2*9-;8-;;8-;;;/m..0...10..111.1.../s1
• InChIKey: WFANCUTZPSPXGH-SVAGQZTKSA-N
• XLogP: 29.47
• TPSA: 180.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2648.47
LogP ≤ 5	29.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

The IUPAC name of 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 161486430) is 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

What is the SMILES notation for 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

The canonical SMILES for 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is C.C#CC1(C)CCN(C(C)C)C1.C#CC1CCN(C(C)C)CC1.CC(C)N1CC(CO)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CC[C@@H](C)C1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CN(C(C)C)C1.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1CCCN1C(C)C.CC[C@@H]1C[C@H](N)CN1C(C)C.CN[C@@H]1CCCN(C(C)C)C1.CN[C@@H]1CCN(C(C)C)C1.

What is the InChIKey of 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

The InChIKey is WFANCUTZPSPXGH-SVAGQZTKSA-N. The full InChI is InChI=1S/C13H19NO.C13H19N.C12H24N2.C11H16N2O.2C10H17N.2C9H20N2.4C9H19N.C8H18N2.C8H17NO.2C8H17N.C7H15NO.CH4/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-11(2)14-9-5-6-12(14)10-13-7-3-4-8-13;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-5-10(4)6-7-11(8-10)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)11-6-4-5-9(7-11)10-3;1-4-9-5-8(10)6-11(9)7(2)3;2*1-8(2)10-6-4-9(3)5-7-10;2*1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-4-8(6-10)9-3;1-7(2)9-5-3-4-8(10)6-9;1-7(2)9-5-4-8(3)6-9;1-4-8-5-9(6-8)7(2)3;1-6(2)8-3-7(4-8)5-9;/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;1,9H,6-8H2,2-4H3;1,9-10H,5-8H2,2-3H3;8-10H,4-7H2,1-3H3;7-9H,4-6,10H2,1-3H3;4*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3;1H4/t;;12-;;;;9-;8-,9+;;;2*9-;8-;;8-;;;/m..0...10..111.1.../s1.

What are the key properties of 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 2648.47 g/mol, XLogP of 29.47, 31 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-propan-2-ylazetidine;(3S,5R)-5-ethyl-1-propan-2-ylpyrrolidin-3-amine;bis((2R)-2-ethyl-1-propan-2-ylpyrrolidine);3-ethynyl-3-methyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methane;(3R)-N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;1-propan-2-ylpiperidin-3-ol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 161486430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).