2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione

C14H22N2O2 — CID 63763206

IUPAC2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESNCC1(N2C(=O)CC3(CCCC3)C2=O)CCCC1
InChIInChI=1S/C14H22N2O2/c15-10-14(7-3-4-8-14)16-11(17)9-13(12(16)18)5-1-2-6-13/h1-10,15H2
InChIKeyLYDIJHDYECLDCU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 63763206) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID63763206
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESNCC1(N2C(=O)CC3(CCCC3)C2=O)CCCC1
InChIInChI=1S/C14H22N2O2/c15-10-14(7-3-4-8-14)16-11(17)9-13(12(16)18)5-1-2-6-13/h1-10,15H2
InChIKeyLYDIJHDYECLDCU-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 63763206) is 2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione is NCC1(N2C(=O)CC3(CCCC3)C2=O)CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is LYDIJHDYECLDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-10-14(7-3-4-8-14)16-11(17)9-13(12(16)18)5-1-2-6-13/h1-10,15H2.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 250.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 63763206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).