1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane

C67H144FN11O — CID 159695553

About 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane

1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane (PubChem CID 159695553) has the molecular formula C67H144FN11O and a molecular weight of 1138.96 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane.

Molecular Properties

• Compound Name: 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane
• PubChem CID: 159695553
• Molecular Formula: C67H144FN11O
• Molecular Weight: 1138.96 g/mol
• Exact Mass: 1138.15
• IUPAC Name: 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane
• SMILES: CC(C)N1CCCCCC1.CC(C)N1CC[C@@H](N(C)C)[C@@H](F)C1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CN(C)C1CCN(C(C)(C)C)CC1.CN(C)[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1
• InChI: InChI=1S/C11H24N2.C10H21FN2.C10H22N2.C9H20N2.C9H19NO.2C9H19N/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-8(2)13-6-5-10(12(3)4)9(11)7-13;1-10(2,3)12-7-6-9(8-12)11(4)5;1-7(2)11-5-8(3)10-9(4)6-11;1-7(2)10-5-8(3)11-9(4)6-10;1-8-5-6-10(7-8)9(2,3)4;1-9(2)10-7-5-3-4-6-8-10/h10H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3;9H,6-8H2,1-5H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;9H,3-8H2,1-2H3/t;9-,10+;9-;2*8-,9+;8-;/m.00..1./s1
• InChIKey: MWYNOCOXMCQHOA-CPUHCCRPSA-N
• XLogP: 11.58
• TPSA: 53.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1138.96
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane?

The IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane (CID 159695553) is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane.

What is the SMILES notation for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane?

The canonical SMILES for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane is CC(C)N1CCCCCC1.CC(C)N1CC[C@@H](N(C)C)[C@@H](F)C1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CN(C)C1CCN(C(C)(C)C)CC1.CN(C)[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.

What is the InChIKey of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane?

The InChIKey is MWYNOCOXMCQHOA-CPUHCCRPSA-N. The full InChI is InChI=1S/C11H24N2.C10H21FN2.C10H22N2.C9H20N2.C9H19NO.2C9H19N/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-8(2)13-6-5-10(12(3)4)9(11)7-13;1-10(2,3)12-7-6-9(8-12)11(4)5;1-7(2)11-5-8(3)10-9(4)6-11;1-7(2)10-5-8(3)11-9(4)6-10;1-8-5-6-10(7-8)9(2,3)4;1-9(2)10-7-5-3-4-6-8-10/h10H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3;9H,6-8H2,1-5H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;8H,5-7H2,1-4H3;9H,3-8H2,1-2H3/t;9-,10+;9-;2*8-,9+;8-;/m.00..1./s1.

What are the key properties of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane?

1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane has a molecular weight of 1138.96 g/mol, XLogP of 11.58, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;(3R)-1-tert-butyl-3-methylpyrrolidine;(2R,6S)-2,6-dimethyl-4-propan-2-ylmorpholine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1-propan-2-ylazepane is sourced from PubChem (CID 159695553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).