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

C12H21NO — CID 79367943

IUPAC(2-cyclohex-3-en-1-yloxan-3-yl)methanamine
SMILESNCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C12H21NO/c13-9-11-7-4-8-14-12(11)10-5-2-1-3-6-10/h1-2,10-12H,3-9,13H2
InChIKeyFSSILYYQNNJVFQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.10
Rot. Bonds2

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

(2-cyclohex-3-en-1-yloxan-3-yl)methanamine (PubChem CID 79367943) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2-cyclohex-3-en-1-yloxan-3-yl)methanamine.

Molecular Properties

Compound Name(2-cyclohex-3-en-1-yloxan-3-yl)methanamine
PubChem CID79367943
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2-cyclohex-3-en-1-yloxan-3-yl)methanamine
SMILESNCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C12H21NO/c13-9-11-7-4-8-14-12(11)10-5-2-1-3-6-10/h1-2,10-12H,3-9,13H2
InChIKeyFSSILYYQNNJVFQ-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.10
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-yloxan-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-yloxan-3-yl)methanamine?
The IUPAC name of (2-cyclohex-3-en-1-yloxan-3-yl)methanamine (CID 79367943) is (2-cyclohex-3-en-1-yloxan-3-yl)methanamine.
What is the SMILES notation for (2-cyclohex-3-en-1-yloxan-3-yl)methanamine?
The canonical SMILES for (2-cyclohex-3-en-1-yloxan-3-yl)methanamine is NCC1CCCOC1C1CC=CCC1.
What is the InChIKey of (2-cyclohex-3-en-1-yloxan-3-yl)methanamine?
The InChIKey is FSSILYYQNNJVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-9-11-7-4-8-14-12(11)10-5-2-1-3-6-10/h1-2,10-12H,3-9,13H2.
What are the key properties of (2-cyclohex-3-en-1-yloxan-3-yl)methanamine?
(2-cyclohex-3-en-1-yloxan-3-yl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.10, 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-yloxan-3-yl)methanamine is sourced from PubChem (CID 79367943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).