2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine

C66H141N11 — CID 161459058

About 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine

2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine (PubChem CID 161459058) has the molecular formula C66H141N11 and a molecular weight of 1088.93 g/mol. Its IUPAC name is 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine.

Molecular Properties

• Compound Name: 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine
• PubChem CID: 161459058
• Molecular Formula: C66H141N11
• Molecular Weight: 1088.93 g/mol
• Exact Mass: 1088.14
• IUPAC Name: 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine
• SMILES: CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1CCN2CCCC2C1.CC1CCCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C11H22N2.C10H21N.3C9H20N2.2C9H19N/c1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-9-6-5-7-11(8-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11-7-4-5-10-6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;8H,4-7,10H2,1-3H3;10H,4-8H2,1-3H3;8H,5-7H2,1-4H3;4-8H2,1-3H3
• InChIKey: WBOCCEXPIZPARL-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 67.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1088.93
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine?

The IUPAC name of 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine (CID 161459058) is 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine.

What is the SMILES notation for 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine?

The canonical SMILES for 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine is CC(C)(C)N1CCC(N)CC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1CCN2CCCC2C1.CC1CCCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.

What is the InChIKey of 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine?

The InChIKey is WBOCCEXPIZPARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C10H21N.3C9H20N2.2C9H19N/c1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-9-6-5-7-11(8-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)11-6-4-8(10)5-7-11;1-9(2,3)11-7-4-5-10-6-8-11;1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3;9H,5-8H2,1-4H3;5-8H2,1-4H3;8H,4-7,10H2,1-3H3;10H,4-8H2,1-3H3;8H,5-7H2,1-4H3;4-8H2,1-3H3.

What are the key properties of 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine?

2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine has a molecular weight of 1088.93 g/mol, XLogP of 11.80, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-tert-butyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-tert-butyl-3-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;1-tert-butylpiperidin-4-amine;1-tert-butylpiperidine is sourced from PubChem (CID 161459058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).