2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione

C16H26N2O3 — CID 63871369

IUPAC2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESNC1CCC(OCCN2C(=O)CC3(CCCC3)C2=O)CC1
InChIInChI=1S/C16H26N2O3/c17-12-3-5-13(6-4-12)21-10-9-18-14(19)11-16(15(18)20)7-1-2-8-16/h12-13H,1-11,17H2
InChIKeyIDEKMYDHHKQNAI-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.59
Rot. Bonds4

About 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 63871369) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID63871369
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESNC1CCC(OCCN2C(=O)CC3(CCCC3)C2=O)CC1
InChIInChI=1S/C16H26N2O3/c17-12-3-5-13(6-4-12)21-10-9-18-14(19)11-16(15(18)20)7-1-2-8-16/h12-13H,1-11,17H2
InChIKeyIDEKMYDHHKQNAI-UHFFFAOYSA-N
XLogP1.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 63871369) is 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione is NC1CCC(OCCN2C(=O)CC3(CCCC3)C2=O)CC1.
What is the InChIKey of 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is IDEKMYDHHKQNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c17-12-3-5-13(6-4-12)21-10-9-18-14(19)11-16(15(18)20)7-1-2-8-16/h12-13H,1-11,17H2.
What are the key properties of 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 294.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminocyclohexyl)oxyethyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 63871369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).