1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine

C12H21NO — CID 65156745

IUPAC1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)C1=CCCCC1
InChIInChI=1S/C12H21NO/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h5,11-12H,1-4,6-9,13H2
InChIKeySMUDFOQPKKKDEX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds3

About 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine

1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 65156745) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID65156745
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)C1=CCCCC1
InChIInChI=1S/C12H21NO/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h5,11-12H,1-4,6-9,13H2
InChIKeySMUDFOQPKKKDEX-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine 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-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine (CID 65156745) is 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine is NC(CC1CCCO1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is SMUDFOQPKKKDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-12(9-11-7-4-8-14-11)10-5-2-1-3-6-10/h5,11-12H,1-4,6-9,13H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine?
1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).