(1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine

C8H15NO2 — CID 57413194

IUPAC(1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine
SMILESCOCO[C@@H]1CCC=C[C@@H]1N
InChIInChI=1S/C8H15NO2/c1-10-6-11-8-5-3-2-4-7(8)9/h2,4,7-8H,3,5-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyWJMJYCDYGBMTSV-JGVFFNPUSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds3

About (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine

(1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine (PubChem CID 57413194) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine
PubChem CID57413194
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine
SMILESCOCO[C@@H]1CCC=C[C@@H]1N
InChIInChI=1S/C8H15NO2/c1-10-6-11-8-5-3-2-4-7(8)9/h2,4,7-8H,3,5-6,9H2,1H3/t7-,8+/m0/s1
InChIKeyWJMJYCDYGBMTSV-JGVFFNPUSA-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 (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine?
The IUPAC name of (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine (CID 57413194) is (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine.
What is the SMILES notation for (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine?
The canonical SMILES for (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine is COCO[C@@H]1CCC=C[C@@H]1N.
What is the InChIKey of (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine?
The InChIKey is WJMJYCDYGBMTSV-JGVFFNPUSA-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/t7-,8+/m0/s1.
What are the key properties of (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine?
(1S,6R)-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 (1S,6R)-6-(methoxymethoxy)cyclohex-2-en-1-amine is sourced from PubChem (CID 57413194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).