[(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine

C159H315N23O7 — CID 158475545

About [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine

[(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 158475545) has the molecular formula C159H315N23O7 and a molecular weight of 2661.42 g/mol. Its IUPAC name is [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

• Compound Name: [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
• PubChem CID: 158475545
• Molecular Formula: C159H315N23O7
• Molecular Weight: 2661.42 g/mol
• Exact Mass: 2659.50
• IUPAC Name: [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
• SMILES: CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C#N)CC1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CCC[C@H]1CO.CC(C)N1C[C@@H](N)C[C@H]1CO.CC(C)NCCNCCO.CC(C)NCCO.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CN(C(C)C)C1.CCC1CN(C(C)C)C1.CN[C@@H]1CCN(C(C)C)C1
• InChI: InChI=1S/C13H19NO.C13H19N.C12H24N2.C11H16N2O.C9H16N2.2C9H19N.C8H18N2O.2C8H18N2.2C8H17NO.2C8H17N.C8H16.C7H18N2O.C7H14.C5H13NO/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;1-8(2)11-5-3-9(7-10)4-6-11;2*1-8(2)10-6-4-9(3)5-7-10;1-6(2)10-4-7(9)3-8(10)5-11;1-7(2)10-5-4-8(6-10)9-3;1-7(2)10-5-3-4-8(9)6-10;1-7(2)9-5-3-4-8(9)6-10;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;1-7(2)9-4-3-8-5-6-10;1-6(2)7-4-3-5-7;1-5(2)6-3-4-7/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;8-9H,3-6H2,1-2H3;2*8-9H,4-7H2,1-3H3;6-8,11H,3-5,9H2,1-2H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;2*7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3/t;;12-;;;;;7-,8-;3*8-;;;;;;;/m..0....0110......./s1
• InChIKey: HGWRBQFVKMOUMQ-IFLZLJFNSA-N
• XLogP: 26.11
• TPSA: 305.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2661.42
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

The IUPAC name of [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 158475545) is [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

What is the SMILES notation for [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

The canonical SMILES for [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C#N)CC1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCC[C@@H](N)C1.CC(C)N1CCC[C@H]1CN1CCCC1.CC(C)N1CCC[C@H]1CO.CC(C)N1C[C@@H](N)C[C@H]1CO.CC(C)NCCNCCO.CC(C)NCCO.CC1CCN(C(C)C)CC1.CC1CCN(C(C)C)CC1.CCC1CN(C(C)C)C1.CCC1CN(C(C)C)C1.CN[C@@H]1CCN(C(C)C)C1.

What is the InChIKey of [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

The InChIKey is HGWRBQFVKMOUMQ-IFLZLJFNSA-N. The full InChI is InChI=1S/C13H19NO.C13H19N.C12H24N2.C11H16N2O.C9H16N2.2C9H19N.C8H18N2O.2C8H18N2.2C8H17NO.2C8H17N.C8H16.C7H18N2O.C7H14.C5H13NO/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;1-8(2)11-5-3-9(7-10)4-6-11;2*1-8(2)10-6-4-9(3)5-7-10;1-6(2)10-4-7(9)3-8(10)5-11;1-7(2)10-5-4-8(6-10)9-3;1-7(2)10-5-3-4-8(9)6-10;1-7(2)9-5-3-4-8(9)6-10;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;1-7(2)9-4-3-8-5-6-10;1-6(2)7-4-3-5-7;1-5(2)6-3-4-7/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;8-9H,3-6H2,1-2H3;2*8-9H,4-7H2,1-3H3;6-8,11H,3-5,9H2,1-2H3;7-9H,4-6H2,1-3H3;7-8H,3-6,9H2,1-2H3;2*7-8,10H,3-6H2,1-2H3;2*7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3/t;;12-;;;;;7-,8-;3*8-;;;;;;;/m..0....0110......./s1.

What are the key properties of [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?

[(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 2661.42 g/mol, XLogP of 26.11, 37 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol;bis(3-ethyl-1-propan-2-ylazetidine);bis(4-methyl-1-propan-2-ylpiperidine);(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol;(2S)-1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 158475545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).