bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine

C173H344N23O5P — CID 159731392

About bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine

bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 159731392) has the molecular formula C173H344N23O5P and a molecular weight of 2857.78 g/mol. Its IUPAC name is bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

• Compound Name: bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
• PubChem CID: 159731392
• Molecular Formula: C173H344N23O5P
• Molecular Weight: 2857.78 g/mol
• Exact Mass: 2855.71
• IUPAC Name: bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
• SMILES: C#CC1CCN(C(C)C)CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)N1CC(Cc2ccccn2)C1.CC(C)N1CC(OP(C)(=O)O)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCCC1CN1CCCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CC(N)CN1C(C)C.CCC1CCCN1C(C)C.CCC1CN(C(C)C)C1.CCC1CN(C(C)C)C1.CCCNC(C)C.CCCNCCNC(C)C.CNC1CCCN(C(C)C)C1.CNC1CCN(C(C)C)C1
• InChI: InChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C10H17N.2C9H20N2.3C9H19N.C8H18N2.C8H20N2.C8H17NO.2C8H17N.C8H16.C7H16NO3P.C7H14.C6H15N/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;1-10(2)14-8-11(9-14)7-12-5-3-4-6-13-12;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;1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-4-8(6-10)9-3;1-4-5-9-6-7-10-8(2)3;1-7(2)9-5-3-4-8(10)6-9;2*1-4-8-5-9(6-8)7(2)3;1-7(2)8-5-3-4-6-8;1-6(2)8-4-7(5-8)11-12(3,9)10;1-6(2)7-4-3-5-7;1-4-5-7-6(2)3/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;1,9-10H,5-8H2,2-3H3;8-10H,4-7H2,1-3H3;7-9H,4-6,10H2,1-3H3;3*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3,(H,9,10);6-7H,3-5H2,1-2H3;6-7H,4-5H2,1-3H3
• InChIKey: NBGWCQGJUQHJJJ-UHFFFAOYSA-N
• XLogP: 33.48
• TPSA: 226.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 41
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2857.78
LogP ≤ 5	33.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

The IUPAC name of bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 159731392) is bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

What is the SMILES notation for bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

The canonical SMILES for bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is C#CC1CCN(C(C)C)CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)N1CC(Cc2ccccn2)C1.CC(C)N1CC(OP(C)(=O)O)C1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCCC1CN1CCCC1.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CC(N)CN1C(C)C.CCC1CCCN1C(C)C.CCC1CN(C(C)C)C1.CCC1CN(C(C)C)C1.CCCNC(C)C.CCCNCCNC(C)C.CNC1CCCN(C(C)C)C1.CNC1CCN(C(C)C)C1.

What is the InChIKey of bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

The InChIKey is NBGWCQGJUQHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C13H19N.C12H24N2.C12H18N2.C10H17N.2C9H20N2.3C9H19N.C8H18N2.C8H20N2.C8H17NO.2C8H17N.C8H16.C7H16NO3P.C7H14.C6H15N/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;1-10(2)14-8-11(9-14)7-12-5-3-4-6-13-12;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;1-4-9-6-5-7-10(9)8(2)3;1-7(2)10-5-4-8(6-10)9-3;1-4-5-9-6-7-10-8(2)3;1-7(2)9-5-3-4-8(10)6-9;2*1-4-8-5-9(6-8)7(2)3;1-7(2)8-5-3-4-6-8;1-6(2)8-4-7(5-8)11-12(3,9)10;1-6(2)7-4-3-5-7;1-4-5-7-6(2)3/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;11-12H,3-10H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;1,9-10H,5-8H2,2-3H3;8-10H,4-7H2,1-3H3;7-9H,4-6,10H2,1-3H3;3*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-10H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3,(H,9,10);6-7H,3-5H2,1-2H3;6-7H,4-5H2,1-3H3.

What are the key properties of bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 2857.78 g/mol, XLogP of 33.48, 41 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-ethyl-1-propan-2-ylazetidine);5-ethyl-1-propan-2-ylpyrrolidin-3-amine;2-ethyl-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpiperidine;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;N-methyl-1-propan-2-ylpiperidin-3-amine;bis(4-methyl-1-propan-2-ylpiperidine);N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-[(1-propan-2-ylazetidin-3-yl)methyl]pyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-ol;N-propan-2-ylpropan-1-amine;N'-propan-2-yl-N-propylethane-1,2-diamine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 159731392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).