3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C17H30N2O2 — CID 83149403

IUPAC3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)CCCN1C(=O)C2(CCCCC2)NC(=O)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-13(2)9-8-12-19-15(21)17(10-6-5-7-11-17)18-14(20)16(19,3)4/h13H,5-12H2,1-4H3,(H,18,20)
InChIKeyXFZHHWQQNPWJDH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.86
Rot. Bonds4

About 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 83149403) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID83149403
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)CCCN1C(=O)C2(CCCCC2)NC(=O)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-13(2)9-8-12-19-15(21)17(10-6-5-7-11-17)18-14(20)16(19,3)4/h13H,5-12H2,1-4H3,(H,18,20)
InChIKeyXFZHHWQQNPWJDH-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 83149403) is 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)CCCN1C(=O)C2(CCCCC2)NC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is XFZHHWQQNPWJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)9-8-12-19-15(21)17(10-6-5-7-11-17)18-14(20)16(19,3)4/h13H,5-12H2,1-4H3,(H,18,20).
What are the key properties of 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 83149403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).