6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane

C72H144N12 — CID 159887633

About 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane

6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 159887633) has the molecular formula C72H144N12 and a molecular weight of 1178.03 g/mol. Its IUPAC name is 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
• PubChem CID: 159887633
• Molecular Formula: C72H144N12
• Molecular Weight: 1178.03 g/mol
• Exact Mass: 1177.16
• IUPAC Name: 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
• SMILES: CC(C)N1CCC2(CCCN(C)C2)CC1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCC2(CN(C)C2)C1.CC(C)N1CCCC2(CCCN2C)C1.CC(C)N1CCCC2(CCN(C)CC2)C1.CN1CC12CCN(C(C)(C)C)CC2
• InChI: InChI=1S/3C13H26N2.C12H24N2.C11H22N2.C10H20N2/c1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-12(2)15-8-4-5-13(11-15)6-9-14(3)10-7-13;1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;1-11(2)14-9-5-7-12(10-14)6-4-8-13(12)3;1-10(2,3)13-7-5-11(6-8-13)9-12(11)4;1-9(2)12-5-4-10(8-12)6-11(3)7-10/h3*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;5-9H2,1-4H3;9H,4-8H2,1-3H3
• InChIKey: NUIKQIVBDUJIAM-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 38.65 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1178.03
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?

The IUPAC name of 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane (CID 159887633) is 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane.

What is the SMILES notation for 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?

The canonical SMILES for 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane is CC(C)N1CCC2(CCCN(C)C2)CC1.CC(C)N1CCC2(CCN(C)CC2)CC1.CC(C)N1CCC2(CN(C)C2)C1.CC(C)N1CCCC2(CCCN2C)C1.CC(C)N1CCCC2(CCN(C)CC2)C1.CN1CC12CCN(C(C)(C)C)CC2.

What is the InChIKey of 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?

The InChIKey is NUIKQIVBDUJIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H26N2.C12H24N2.C11H22N2.C10H20N2/c1-12(2)15-10-6-13(7-11-15)4-8-14(3)9-5-13;1-12(2)15-8-4-5-13(11-15)6-9-14(3)10-7-13;1-12(2)15-9-6-13(7-10-15)5-4-8-14(3)11-13;1-11(2)14-9-5-7-12(10-14)6-4-8-13(12)3;1-10(2,3)13-7-5-11(6-8-13)9-12(11)4;1-9(2)12-5-4-10(8-12)6-11(3)7-10/h3*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;5-9H2,1-4H3;9H,4-8H2,1-3H3.

What are the key properties of 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?

6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane has a molecular weight of 1178.03 g/mol, XLogP of 11.16, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1-methyl-1,6-diazaspiro[2.5]octane;1-methyl-9-propan-2-yl-1,9-diazaspiro[4.5]decane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 159887633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).