1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone

C14H23NO — CID 128592037

IUPAC1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(CC(=O)N2CC3(CC3)C2)CC1
InChIInChI=1S/C14H23NO/c1-11-2-4-12(5-3-11)8-13(16)15-9-14(10-15)6-7-14/h11-12H,2-10H2,1H3
InChIKeyDVGUSJKEUNXXLB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.83
Rot. Bonds2

About 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone

1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone (PubChem CID 128592037) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone
PubChem CID128592037
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone
SMILESCC1CCC(CC(=O)N2CC3(CC3)C2)CC1
InChIInChI=1S/C14H23NO/c1-11-2-4-12(5-3-11)8-13(16)15-9-14(10-15)6-7-14/h11-12H,2-10H2,1H3
InChIKeyDVGUSJKEUNXXLB-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)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 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone?
The IUPAC name of 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone (CID 128592037) is 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone.
What is the SMILES notation for 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone?
The canonical SMILES for 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone is CC1CCC(CC(=O)N2CC3(CC3)C2)CC1.
What is the InChIKey of 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone?
The InChIKey is DVGUSJKEUNXXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-2-4-12(5-3-11)8-13(16)15-9-14(10-15)6-7-14/h11-12H,2-10H2,1H3.
What are the key properties of 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone?
1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone has a molecular weight of 221.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[2.3]hexan-5-yl)-2-(4-methylcyclohexyl)ethanone is sourced from PubChem (CID 128592037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).