2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

C15H29N3O — CID 156795215

IUPAC2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCCNCC(=O)N1CC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C15H29N3O/c1-4-16-9-14(19)18-11-15(12-18)5-7-17(8-6-15)10-13(2)3/h13,16H,4-12H2,1-3H3
InChIKeyXROWDOJSOPFBDV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.18
Rot. Bonds5

About 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone

2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 156795215) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

Compound Name2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
PubChem CID156795215
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
SMILESCCNCC(=O)N1CC2(CCN(CC(C)C)CC2)C1
InChIInChI=1S/C15H29N3O/c1-4-16-9-14(19)18-11-15(12-18)5-7-17(8-6-15)10-13(2)3/h13,16H,4-12H2,1-3H3
InChIKeyXROWDOJSOPFBDV-UHFFFAOYSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The IUPAC name of 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone (CID 156795215) is 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone.
What is the SMILES notation for 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The canonical SMILES for 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is CCNCC(=O)N1CC2(CCN(CC(C)C)CC2)C1.
What is the InChIKey of 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
The InChIKey is XROWDOJSOPFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-16-9-14(19)18-11-15(12-18)5-7-17(8-6-15)10-13(2)3/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone?
2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 156795215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).