methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane

C33H74N6 — CID 159045726

About methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane

methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane (PubChem CID 159045726) has the molecular formula C33H74N6 and a molecular weight of 555.00 g/mol. Its IUPAC name is methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane.

Molecular Properties

• Compound Name: methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane
• PubChem CID: 159045726
• Molecular Formula: C33H74N6
• Molecular Weight: 555.00 g/mol
• Exact Mass: 554.60
• IUPAC Name: methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane
• SMILES: C.C.C.C.CC(C)N1CCC2(CC1)CNC2.CC(C)N1CCC2(CN(C)C2)C1.CC(C)N1CCC2(CNC2)C1
• InChI: InChI=1S/2C10H20N2.C9H18N2.4CH4/c1-9(2)12-5-4-10(8-12)6-11(3)7-10;1-9(2)12-5-3-10(4-6-12)7-11-8-10;1-8(2)11-4-3-9(7-11)5-10-6-9;;;;/h9H,4-8H2,1-3H3;9,11H,3-8H2,1-2H3;8,10H,3-7H2,1-2H3;4*1H4
• InChIKey: JWPXHQJNVZJSHB-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 37.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.00
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane?

The IUPAC name of methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane (CID 159045726) is methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane.

What is the SMILES notation for methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane?

The canonical SMILES for methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane is C.C.C.C.CC(C)N1CCC2(CC1)CNC2.CC(C)N1CCC2(CN(C)C2)C1.CC(C)N1CCC2(CNC2)C1.

What is the InChIKey of methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane?

The InChIKey is JWPXHQJNVZJSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20N2.C9H18N2.4CH4/c1-9(2)12-5-4-10(8-12)6-11(3)7-10;1-9(2)12-5-3-10(4-6-12)7-11-8-10;1-8(2)11-4-3-9(7-11)5-10-6-9;;;;/h9H,4-8H2,1-3H3;9,11H,3-8H2,1-2H3;8,10H,3-7H2,1-2H3;4*1H4.

What are the key properties of methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane?

methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane has a molecular weight of 555.00 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 159045726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).