1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine

C121H257N15 — CID 159600120

About 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine

1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine (PubChem CID 159600120) has the molecular formula C121H257N15 and a molecular weight of 1922.49 g/mol. Its IUPAC name is 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine.

Molecular Properties

• Compound Name: 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine
• PubChem CID: 159600120
• Molecular Formula: C121H257N15
• Molecular Weight: 1922.49 g/mol
• Exact Mass: 1921.06
• IUPAC Name: 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine
• SMILES: CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCCN1C(C)(C)C.CC(C)(C)N1CCCN(C(C)(C)C)C1.CC(C)(C)N1CCCN1C(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)C1.CC(C)(C)N1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/3C13H27N.3C12H26N2.2C12H25N.2C11H24N2/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)13-8-7-9-14(10-13)12(4,5)6;1-11(2,3)13-9-7-8-10-14(13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-10(2,3)12-7-8-13(9-12)11(4,5)6;1-10(2,3)12-8-7-9-13(12)11(4,5)6/h3*11H,7-10H2,1-6H3;3*7-10H2,1-6H3;2*10H,7-9H2,1-6H3;2*7-9H2,1-6H3
• InChIKey: MLJGLXJMIPPORU-UHFFFAOYSA-N
• XLogP: 29.53
• TPSA: 48.60 Ų
• H-Bond Acceptors: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1922.49
LogP ≤ 5	29.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine?

The IUPAC name of 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine (CID 159600120) is 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine.

What is the SMILES notation for 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine?

The canonical SMILES for 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine is CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCCN1C(C)(C)C.CC(C)(C)N1CCCN(C(C)(C)C)C1.CC(C)(C)N1CCCN1C(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)C1.CC(C)(C)N1CCN(C(C)(C)C)CC1.

What is the InChIKey of 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine?

The InChIKey is MLJGLXJMIPPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H27N.3C12H26N2.2C12H25N.2C11H24N2/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)13-8-7-9-14(10-13)12(4,5)6;1-11(2,3)13-9-7-8-10-14(13)12(4,5)6;1-11(2,3)10-7-8-13(9-10)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-10(2,3)12-7-8-13(9-12)11(4,5)6;1-10(2,3)12-8-7-9-13(12)11(4,5)6/h3*11H,7-10H2,1-6H3;3*7-10H2,1-6H3;2*10H,7-9H2,1-6H3;2*7-9H2,1-6H3.

What are the key properties of 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine?

1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine has a molecular weight of 1922.49 g/mol, XLogP of 29.53, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine is sourced from PubChem (CID 159600120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).