cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine

C11H19NO2 — CID 62803285

IUPACcyclohexen-1-yl(1,4-dioxan-2-yl)methanamine
SMILESNC(C1=CCCCC1)C1COCCO1
InChIInChI=1S/C11H19NO2/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h4,10-11H,1-3,5-8,12H2
InChIKeyMEKPDKZEWWONRR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds2

About cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine

cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine (PubChem CID 62803285) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl(1,4-dioxan-2-yl)methanamine
PubChem CID62803285
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecyclohexen-1-yl(1,4-dioxan-2-yl)methanamine
SMILESNC(C1=CCCCC1)C1COCCO1
InChIInChI=1S/C11H19NO2/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h4,10-11H,1-3,5-8,12H2
InChIKeyMEKPDKZEWWONRR-UHFFFAOYSA-N
XLogP1.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine?
The IUPAC name of cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine (CID 62803285) is cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine is NC(C1=CCCCC1)C1COCCO1.
What is the InChIKey of cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine?
The InChIKey is MEKPDKZEWWONRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h4,10-11H,1-3,5-8,12H2.
What are the key properties of cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine?
cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine has a molecular weight of 197.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(1,4-dioxan-2-yl)methanamine is sourced from PubChem (CID 62803285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).