1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

C15H26N2O2 — CID 83168970

IUPAC1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC(C)CCCN1C(=O)NC(=O)C12CCCCCC2
InChIInChI=1S/C15H26N2O2/c1-12(2)8-7-11-17-14(19)16-13(18)15(17)9-5-3-4-6-10-15/h12H,3-11H2,1-2H3,(H,16,18,19)
InChIKeyOLJZLTJGSCWUGT-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione

1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 83168970) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID83168970
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC(C)CCCN1C(=O)NC(=O)C12CCCCCC2
InChIInChI=1S/C15H26N2O2/c1-12(2)8-7-11-17-14(19)16-13(18)15(17)9-5-3-4-6-10-15/h12H,3-11H2,1-2H3,(H,16,18,19)
InChIKeyOLJZLTJGSCWUGT-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 83168970) is 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is CC(C)CCCN1C(=O)NC(=O)C12CCCCCC2.
What is the InChIKey of 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is OLJZLTJGSCWUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)8-7-11-17-14(19)16-13(18)15(17)9-5-3-4-6-10-15/h12H,3-11H2,1-2H3,(H,16,18,19).
What are the key properties of 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione?
1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 266.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 83168970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).