2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone

C16H28N2O — CID 58584510

IUPAC2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(C)(C)C1(CC(=O)N2CCC3(CCN3)CC2)CC1
InChIInChI=1S/C16H28N2O/c1-14(2,3)15(4-5-15)12-13(19)18-10-7-16(8-11-18)6-9-17-16/h17H,4-12H2,1-3H3
InChIKeyWNTGGJLRNFOIAJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds2

About 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone

2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 58584510) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
PubChem CID58584510
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(C)(C)C1(CC(=O)N2CCC3(CCN3)CC2)CC1
InChIInChI=1S/C16H28N2O/c1-14(2,3)15(4-5-15)12-13(19)18-10-7-16(8-11-18)6-9-17-16/h17H,4-12H2,1-3H3
InChIKeyWNTGGJLRNFOIAJ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone (CID 58584510) is 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone is CC(C)(C)C1(CC(=O)N2CCC3(CCN3)CC2)CC1.
What is the InChIKey of 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is WNTGGJLRNFOIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2,3)15(4-5-15)12-13(19)18-10-7-16(8-11-18)6-9-17-16/h17H,4-12H2,1-3H3.
What are the key properties of 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone?
2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 264.41 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylcyclopropyl)-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 58584510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).