1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C13H23NO2 — CID 104705093

IUPAC1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCC2CC=CCC2)CCOC1
InChIInChI=1S/C13H23NO2/c1-15-13(7-8-16-11-13)10-14-9-12-5-3-2-4-6-12/h2-3,12,14H,4-11H2,1H3
InChIKeyLTRVYCKZZGJQTO-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.74
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104705093) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104705093
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCC2CC=CCC2)CCOC1
InChIInChI=1S/C13H23NO2/c1-15-13(7-8-16-11-13)10-14-9-12-5-3-2-4-6-12/h2-3,12,14H,4-11H2,1H3
InChIKeyLTRVYCKZZGJQTO-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.74
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 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104705093) is 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is COC1(CNCC2CC=CCC2)CCOC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is LTRVYCKZZGJQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-15-13(7-8-16-11-13)10-14-9-12-5-3-2-4-6-12/h2-3,12,14H,4-11H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104705093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).