3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine

C12H25NO2 — CID 121378923

IUPAC3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine
SMILESCOC1CCC(C)(COCCCN)CC1
InChIInChI=1S/C12H25NO2/c1-12(10-15-9-3-8-13)6-4-11(14-2)5-7-12/h11H,3-10,13H2,1-2H3
InChIKeyRZTWVSMGQAUFNP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds6

About 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine

3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine (PubChem CID 121378923) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine
PubChem CID121378923
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine
SMILESCOC1CCC(C)(COCCCN)CC1
InChIInChI=1S/C12H25NO2/c1-12(10-15-9-3-8-13)6-4-11(14-2)5-7-12/h11H,3-10,13H2,1-2H3
InChIKeyRZTWVSMGQAUFNP-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine?
The IUPAC name of 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine (CID 121378923) is 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine is COC1CCC(C)(COCCCN)CC1.
What is the InChIKey of 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine?
The InChIKey is RZTWVSMGQAUFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(10-15-9-3-8-13)6-4-11(14-2)5-7-12/h11H,3-10,13H2,1-2H3.
What are the key properties of 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine?
3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-1-methylcyclohexyl)methoxy]propan-1-amine is sourced from PubChem (CID 121378923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).