5-methoxy-5-methyloctan-1-amine

C10H23NO — CID 134191039

IUPAC5-methoxy-5-methyloctan-1-amine
SMILESCCCC(C)(CCCCN)OC
InChIInChI=1S/C10H23NO/c1-4-7-10(2,12-3)8-5-6-9-11/h4-9,11H2,1-3H3
InChIKeyOKCTUDLWOIWEDA-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds7

About 5-methoxy-5-methyloctan-1-amine

5-methoxy-5-methyloctan-1-amine (PubChem CID 134191039) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 5-methoxy-5-methyloctan-1-amine.

Molecular Properties

Compound Name5-methoxy-5-methyloctan-1-amine
PubChem CID134191039
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name5-methoxy-5-methyloctan-1-amine
SMILESCCCC(C)(CCCCN)OC
InChIInChI=1S/C10H23NO/c1-4-7-10(2,12-3)8-5-6-9-11/h4-9,11H2,1-3H3
InChIKeyOKCTUDLWOIWEDA-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-methoxy-5-methyloctan-1-amine?
The IUPAC name of 5-methoxy-5-methyloctan-1-amine (CID 134191039) is 5-methoxy-5-methyloctan-1-amine.
What is the SMILES notation for 5-methoxy-5-methyloctan-1-amine?
The canonical SMILES for 5-methoxy-5-methyloctan-1-amine is CCCC(C)(CCCCN)OC.
What is the InChIKey of 5-methoxy-5-methyloctan-1-amine?
The InChIKey is OKCTUDLWOIWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-7-10(2,12-3)8-5-6-9-11/h4-9,11H2,1-3H3.
What are the key properties of 5-methoxy-5-methyloctan-1-amine?
5-methoxy-5-methyloctan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyloctan-1-amine is sourced from PubChem (CID 134191039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).