(2-cyclohex-3-en-1-yloxolan-3-yl)methanamine

C11H19NO — CID 79368699

IUPAC(2-cyclohex-3-en-1-yloxolan-3-yl)methanamine
SMILESNCC1CCOC1C1CC=CCC1
InChIInChI=1S/C11H19NO/c12-8-10-6-7-13-11(10)9-4-2-1-3-5-9/h1-2,9-11H,3-8,12H2
InChIKeyWTCVIGXWXBLIRJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.71
Rot. Bonds2

About (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine

(2-cyclohex-3-en-1-yloxolan-3-yl)methanamine (PubChem CID 79368699) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-cyclohex-3-en-1-yloxolan-3-yl)methanamine
PubChem CID79368699
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2-cyclohex-3-en-1-yloxolan-3-yl)methanamine
SMILESNCC1CCOC1C1CC=CCC1
InChIInChI=1S/C11H19NO/c12-8-10-6-7-13-11(10)9-4-2-1-3-5-9/h1-2,9-11H,3-8,12H2
InChIKeyWTCVIGXWXBLIRJ-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine 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-cyclohex-3-en-1-yloxolan-3-yl)methanamine?
The IUPAC name of (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine (CID 79368699) is (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine.
What is the SMILES notation for (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine?
The canonical SMILES for (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine is NCC1CCOC1C1CC=CCC1.
What is the InChIKey of (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine?
The InChIKey is WTCVIGXWXBLIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-8-10-6-7-13-11(10)9-4-2-1-3-5-9/h1-2,9-11H,3-8,12H2.
What are the key properties of (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine?
(2-cyclohex-3-en-1-yloxolan-3-yl)methanamine has a molecular weight of 181.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohex-3-en-1-yloxolan-3-yl)methanamine is sourced from PubChem (CID 79368699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).