1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one

C16H30N2O — CID 95042685

IUPAC1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2(CCN(CC(C)(C)C)CC2)C1
InChIInChI=1S/C16H30N2O/c1-13(2)14(19)18-11-16(12-18)6-8-17(9-7-16)10-15(3,4)5/h13H,6-12H2,1-5H3
InChIKeyVFPWMJMOKFPEKO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.61
Rot. Bonds2

About 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one

1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one (PubChem CID 95042685) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
PubChem CID95042685
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2(CCN(CC(C)(C)C)CC2)C1
InChIInChI=1S/C16H30N2O/c1-13(2)14(19)18-11-16(12-18)6-8-17(9-7-16)10-15(3,4)5/h13H,6-12H2,1-5H3
InChIKeyVFPWMJMOKFPEKO-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one (CID 95042685) is 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC2(CCN(CC(C)(C)C)CC2)C1.
What is the InChIKey of 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
The InChIKey is VFPWMJMOKFPEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)14(19)18-11-16(12-18)6-8-17(9-7-16)10-15(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 95042685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).