[2-(methoxymethoxy)cyclohexyl]methanamine

C9H19NO2 — CID 106938418

IUPAC[2-(methoxymethoxy)cyclohexyl]methanamine
SMILESCOCOC1CCCCC1CN
InChIInChI=1S/C9H19NO2/c1-11-7-12-9-5-3-2-4-8(9)6-10/h8-9H,2-7,10H2,1H3
InChIKeyDFTJJZNTTYCEJR-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.12
Rot. Bonds4

About [2-(methoxymethoxy)cyclohexyl]methanamine

[2-(methoxymethoxy)cyclohexyl]methanamine (PubChem CID 106938418) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [2-(methoxymethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(methoxymethoxy)cyclohexyl]methanamine
PubChem CID106938418
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[2-(methoxymethoxy)cyclohexyl]methanamine
SMILESCOCOC1CCCCC1CN
InChIInChI=1S/C9H19NO2/c1-11-7-12-9-5-3-2-4-8(9)6-10/h8-9H,2-7,10H2,1H3
InChIKeyDFTJJZNTTYCEJR-UHFFFAOYSA-N
XLogP1.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethoxy)cyclohexyl]methanamine?
The IUPAC name of [2-(methoxymethoxy)cyclohexyl]methanamine (CID 106938418) is [2-(methoxymethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(methoxymethoxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(methoxymethoxy)cyclohexyl]methanamine is COCOC1CCCCC1CN.
What is the InChIKey of [2-(methoxymethoxy)cyclohexyl]methanamine?
The InChIKey is DFTJJZNTTYCEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-7-12-9-5-3-2-4-8(9)6-10/h8-9H,2-7,10H2,1H3.
What are the key properties of [2-(methoxymethoxy)cyclohexyl]methanamine?
[2-(methoxymethoxy)cyclohexyl]methanamine has a molecular weight of 173.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 106938418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).