6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H31N3O — CID 106053090

About 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 106053090) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

• Compound Name: 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
• PubChem CID: 106053090
• Molecular Formula: C16H31N3O
• Molecular Weight: 281.44 g/mol
• Exact Mass: 281.25
• IUPAC Name: 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
• SMILES: CC(C)CC1NC2(CC2)C(=O)N1CCCN(C)C(C)C
• InChI: InChI=1S/C16H31N3O/c1-12(2)11-14-17-16(7-8-16)15(20)19(14)10-6-9-18(5)13(3)4/h12-14,17H,6-11H2,1-5H3
• InChIKey: WBTVCCQUVQXDLQ-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.44
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?

The IUPAC name of 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 106053090) is 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

What is the SMILES notation for 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?

The canonical SMILES for 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CC1NC2(CC2)C(=O)N1CCCN(C)C(C)C.

What is the InChIKey of 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?

The InChIKey is WBTVCCQUVQXDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)11-14-17-16(7-8-16)15(20)19(14)10-6-9-18(5)13(3)4/h12-14,17H,6-11H2,1-5H3.

What are the key properties of 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?

6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 281.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 106053090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).