1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C72H151F2N9O — CID 159249163

IUPAC1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CC(F)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCOCC1.CC1(F)CN(C(C)(C)C)C1.[2H]C1([2H])N(C(C)(C)C)C([2H])([2H])C([2H])([2H])C1([2H])[2H].[2H]C1([2H])N(C(C)(C)C)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H21N.C9H19N.C8H16FN.C8H17NO.2C8H17N.C7H14FN.2C7H15N/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)9-4-6-10-7-5-9;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-4-6(8)5-9;2*1-7(2,3)8-5-4-6-8/h4-9H2,1-3H3;4-8H2,1-3H3;5-6H2,1-4H3;4-7H2,1-3H3;2*4-7H2,1-3H3;6H,4-5H2,1-3H3;2*4-6H2,1-3H3/i;;;;4D2,5D2,6D2,7D2;;;4D2,5D2,6D2;
InChIKeyKVBKVZGXBSNLSZ-LCGUHAMSSA-N
MW1211.14 g/mol
LogP16.06
Rot. Bonds

About 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 159249163) has the molecular formula C72H151F2N9O and a molecular weight of 1211.14 g/mol. Its IUPAC name is 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID159249163
Molecular FormulaC72H151F2N9O
Molecular Weight1211.14 g/mol
Exact Mass1210.29
IUPAC Name1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CC(F)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCOCC1.CC1(F)CN(C(C)(C)C)C1.[2H]C1([2H])N(C(C)(C)C)C([2H])([2H])C([2H])([2H])C1([2H])[2H].[2H]C1([2H])N(C(C)(C)C)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H21N.C9H19N.C8H16FN.C8H17NO.2C8H17N.C7H14FN.2C7H15N/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)9-4-6-10-7-5-9;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-4-6(8)5-9;2*1-7(2,3)8-5-4-6-8/h4-9H2,1-3H3;4-8H2,1-3H3;5-6H2,1-4H3;4-7H2,1-3H3;2*4-7H2,1-3H3;6H,4-5H2,1-3H3;2*4-6H2,1-3H3/i;;;;4D2,5D2,6D2,7D2;;;4D2,5D2,6D2;
InChIKeyKVBKVZGXBSNLSZ-LCGUHAMSSA-N
XLogP16.06
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001211.14
LogP ≤ 516.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 159249163) is 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(C)(C)N1CC(F)C1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCOCC1.CC1(F)CN(C(C)(C)C)C1.[2H]C1([2H])N(C(C)(C)C)C([2H])([2H])C([2H])([2H])C1([2H])[2H].[2H]C1([2H])N(C(C)(C)C)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is KVBKVZGXBSNLSZ-LCGUHAMSSA-N. The full InChI is InChI=1S/C10H21N.C9H19N.C8H16FN.C8H17NO.2C8H17N.C7H14FN.2C7H15N/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-7-5-4-6-8-10;1-7(2,3)10-5-8(4,9)6-10;1-8(2,3)9-4-6-10-7-5-9;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-4-6(8)5-9;2*1-7(2,3)8-5-4-6-8/h4-9H2,1-3H3;4-8H2,1-3H3;5-6H2,1-4H3;4-7H2,1-3H3;2*4-7H2,1-3H3;6H,4-5H2,1-3H3;2*4-6H2,1-3H3/i;;;;4D2,5D2,6D2,7D2;;;4D2,5D2,6D2;.
What are the key properties of 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 1211.14 g/mol, XLogP of 16.06, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazepane;1-tert-butylazetidine;1-tert-butyl-3-fluoroazetidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-2,2,3,3,4,4-hexadeuterioazetidine;4-tert-butylmorpholine;1-tert-butyl-2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 159249163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).