[1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

C15H23N3O3 — CID 107501437

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESNCCn1cnc(C(=O)C2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C15H23N3O3/c16-4-5-18-10-13(17-11-18)14(19)12-1-6-21-15(9-12)2-7-20-8-3-15/h10-12H,1-9,16H2
InChIKeyIKRWNMLFUWBAGO-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.00
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 107501437) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
PubChem CID107501437
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESNCCn1cnc(C(=O)C2CCOC3(CCOCC3)C2)c1
InChIInChI=1S/C15H23N3O3/c16-4-5-18-10-13(17-11-18)14(19)12-1-6-21-15(9-12)2-7-20-8-3-15/h10-12H,1-9,16H2
InChIKeyIKRWNMLFUWBAGO-UHFFFAOYSA-N
XLogP1.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (CID 107501437) is [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is NCCn1cnc(C(=O)C2CCOC3(CCOCC3)C2)c1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is IKRWNMLFUWBAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-4-5-18-10-13(17-11-18)14(19)12-1-6-21-15(9-12)2-7-20-8-3-15/h10-12H,1-9,16H2.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 107501437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).