6-(methoxymethoxy)cyclohex-2-en-1-amine

C8H15NO2 — CID 76528003

IUPAC6-(methoxymethoxy)cyclohex-2-en-1-amine
SMILESCOCOC1CCC=CC1N
InChIInChI=1S/C8H15NO2/c1-10-6-11-8-5-3-2-4-7(8)9/h2,4,7-8H,3,5-6,9H2,1H3
InChIKeyWJMJYCDYGBMTSV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds3

About 6-(methoxymethoxy)cyclohex-2-en-1-amine

6-(methoxymethoxy)cyclohex-2-en-1-amine (PubChem CID 76528003) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 6-(methoxymethoxy)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name6-(methoxymethoxy)cyclohex-2-en-1-amine
PubChem CID76528003
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name6-(methoxymethoxy)cyclohex-2-en-1-amine
SMILESCOCOC1CCC=CC1N
InChIInChI=1S/C8H15NO2/c1-10-6-11-8-5-3-2-4-7(8)9/h2,4,7-8H,3,5-6,9H2,1H3
InChIKeyWJMJYCDYGBMTSV-UHFFFAOYSA-N
XLogP0.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)cyclohex-2-en-1-amine?
The IUPAC name of 6-(methoxymethoxy)cyclohex-2-en-1-amine (CID 76528003) is 6-(methoxymethoxy)cyclohex-2-en-1-amine.
What is the SMILES notation for 6-(methoxymethoxy)cyclohex-2-en-1-amine?
The canonical SMILES for 6-(methoxymethoxy)cyclohex-2-en-1-amine is COCOC1CCC=CC1N.
What is the InChIKey of 6-(methoxymethoxy)cyclohex-2-en-1-amine?
The InChIKey is WJMJYCDYGBMTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-10-6-11-8-5-3-2-4-7(8)9/h2,4,7-8H,3,5-6,9H2,1H3.
What are the key properties of 6-(methoxymethoxy)cyclohex-2-en-1-amine?
6-(methoxymethoxy)cyclohex-2-en-1-amine has a molecular weight of 157.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)cyclohex-2-en-1-amine is sourced from PubChem (CID 76528003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).