1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one

C12H23NO2 — CID 3077176

IUPAC1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one
SMILESO=C(CCCNCCO)C1CCCCC1
InChIInChI=1S/C12H23NO2/c14-10-9-13-8-4-7-12(15)11-5-2-1-3-6-11/h11,13-14H,1-10H2
InChIKeyFTUNMKARRYSAFT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.50
Rot. Bonds7

About 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one

1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one (PubChem CID 3077176) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one
PubChem CID3077176
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one
SMILESO=C(CCCNCCO)C1CCCCC1
InChIInChI=1S/C12H23NO2/c14-10-9-13-8-4-7-12(15)11-5-2-1-3-6-11/h11,13-14H,1-10H2
InChIKeyFTUNMKARRYSAFT-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one 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-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one?
The IUPAC name of 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one (CID 3077176) is 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one.
What is the SMILES notation for 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one?
The canonical SMILES for 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one is O=C(CCCNCCO)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one?
The InChIKey is FTUNMKARRYSAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-10-9-13-8-4-7-12(15)11-5-2-1-3-6-11/h11,13-14H,1-10H2.
What are the key properties of 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one?
1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one is sourced from PubChem (CID 3077176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).