(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

C108H210F2N26O4 — CID 158384992

About (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine

(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (PubChem CID 158384992) has the molecular formula C108H210F2N26O4 and a molecular weight of 1975.04 g/mol. Its IUPAC name is (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.

Molecular Properties

• Compound Name: (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
• PubChem CID: 158384992
• Molecular Formula: C108H210F2N26O4
• Molecular Weight: 1975.04 g/mol
• Exact Mass: 1973.70
• IUPAC Name: (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine
• SMILES: C.C.C#CC1CN(C(C)C)CC1N.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CC[C@@H](CO)C1.CC(C)N1C[C@@H](C)[C@@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N=[N+]=[N-])C1.CC(C)N1C[C@@H](N)[C@@H](C)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CC(C)N1C[C@H](C)[C@H](N=[N+]=[N-])C1.CC(C)[C@H](N)C(=O)OC1CN(C(C)C)C1
• InChI: InChI=1S/C12H18N2.C11H17N3.C11H22N2O2.C9H16N2.2C8H16N4.2C8H18N2.C8H14N2.2C8H17NO.C7H13F2N.2CH4/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4;1-4-8-5-11(7(2)3)6-9(8)10;2*1-6(2)12-4-7(3)8(5-12)10-11-9;2*1-6(2)10-4-7(3)8(9)5-10;1-7(2)10-5-3-4-8(10)6-9;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-4-3-8(5-9)6-10;1-6(2)10-4-3-7(8,9)5-10;;/h3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;7-10H,5-6,12H2,1-4H3;1,7-9H,5-6,10H2,2-3H3;2*6-8H,4-5H2,1-3H3;2*6-8H,4-5,9H2,1-3H3;7-8H,3-5H2,1-2H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2*1H4/t;;10-;;4*7-,8+;8-;7-,8-;8-;;;/m..0.1010001.../s1
• InChIKey: GWGJNWIQDCBGOG-WESKUXKPSA-N
• XLogP: 16.05
• TPSA: 369.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1975.04
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?

The IUPAC name of (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine (CID 158384992) is (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine.

What is the SMILES notation for (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?

The canonical SMILES for (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is C.C.C#CC1CN(C(C)C)CC1N.CC(C)N1CCC(F)(F)C1.CC(C)N1CCC(c2ccccn2)C1.CC(C)N1CCC(c2ncccn2)C1.CC(C)N1CCC[C@H]1C#N.CC(C)N1CC[C@@H](CO)C1.CC(C)N1C[C@@H](C)[C@@H](N)C1.CC(C)N1C[C@@H](C)[C@@H](N=[N+]=[N-])C1.CC(C)N1C[C@@H](N)[C@@H](C)C1.CC(C)N1C[C@H](C)[C@@H](O)C1.CC(C)N1C[C@H](C)[C@H](N=[N+]=[N-])C1.CC(C)[C@H](N)C(=O)OC1CN(C(C)C)C1.

What is the InChIKey of (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?

The InChIKey is GWGJNWIQDCBGOG-WESKUXKPSA-N. The full InChI is InChI=1S/C12H18N2.C11H17N3.C11H22N2O2.C9H16N2.2C8H16N4.2C8H18N2.C8H14N2.2C8H17NO.C7H13F2N.2CH4/c1-10(2)14-8-6-11(9-14)12-5-3-4-7-13-12;1-9(2)14-7-4-10(8-14)11-12-5-3-6-13-11;1-7(2)10(12)11(14)15-9-5-13(6-9)8(3)4;1-4-8-5-11(7(2)3)6-9(8)10;2*1-6(2)12-4-7(3)8(5-12)10-11-9;2*1-6(2)10-4-7(3)8(9)5-10;1-7(2)10-5-3-4-8(10)6-9;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-4-3-8(5-9)6-10;1-6(2)10-4-3-7(8,9)5-10;;/h3-5,7,10-11H,6,8-9H2,1-2H3;3,5-6,9-10H,4,7-8H2,1-2H3;7-10H,5-6,12H2,1-4H3;1,7-9H,5-6,10H2,2-3H3;2*6-8H,4-5H2,1-3H3;2*6-8H,4-5,9H2,1-3H3;7-8H,3-5H2,1-2H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2*1H4/t;;10-;;4*7-,8+;8-;7-,8-;8-;;;/m..0.1010001.../s1.

What are the key properties of (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine?

(3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine has a molecular weight of 1975.04 g/mol, XLogP of 16.05, 20 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;(3R,4R)-3-azido-4-methyl-1-propan-2-ylpyrrolidine;3,3-difluoro-1-propan-2-ylpyrrolidine;4-ethynyl-1-propan-2-ylpyrrolidin-3-amine;methane;(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-amine;(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate;(2S)-1-propan-2-ylpyrrolidine-2-carbonitrile;[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanol;2-(1-propan-2-ylpyrrolidin-3-yl)pyridine;2-(1-propan-2-ylpyrrolidin-3-yl)pyrimidine is sourced from PubChem (CID 158384992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).