8-methoxy-N,4-dimethyloctan-3-amine

C11H25NO — CID 104648384

IUPAC8-methoxy-N,4-dimethyloctan-3-amine
SMILESCCC(NC)C(C)CCCCOC
InChIInChI=1S/C11H25NO/c1-5-11(12-3)10(2)8-6-7-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyMHQWCESFSQKTQW-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds8

About 8-methoxy-N,4-dimethyloctan-3-amine

8-methoxy-N,4-dimethyloctan-3-amine (PubChem CID 104648384) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 8-methoxy-N,4-dimethyloctan-3-amine.

Molecular Properties

Compound Name8-methoxy-N,4-dimethyloctan-3-amine
PubChem CID104648384
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name8-methoxy-N,4-dimethyloctan-3-amine
SMILESCCC(NC)C(C)CCCCOC
InChIInChI=1S/C11H25NO/c1-5-11(12-3)10(2)8-6-7-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyMHQWCESFSQKTQW-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
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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Related Compounds

1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
CID 90980813
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64499080
N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64718531
N-ethyl-4-methyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64719202
4-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64720553
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148256
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
CID 103148285
1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148290
1-cyclobutyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148355
5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148372
5-ethyl-N-methyl-1-(2,2,2-trifluoroethoxy)nonan-3-amine
CID 103148433

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,4-dimethyloctan-3-amine?
The IUPAC name of 8-methoxy-N,4-dimethyloctan-3-amine (CID 104648384) is 8-methoxy-N,4-dimethyloctan-3-amine.
What is the SMILES notation for 8-methoxy-N,4-dimethyloctan-3-amine?
The canonical SMILES for 8-methoxy-N,4-dimethyloctan-3-amine is CCC(NC)C(C)CCCCOC.
What is the InChIKey of 8-methoxy-N,4-dimethyloctan-3-amine?
The InChIKey is MHQWCESFSQKTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-11(12-3)10(2)8-6-7-9-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 8-methoxy-N,4-dimethyloctan-3-amine?
8-methoxy-N,4-dimethyloctan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,4-dimethyloctan-3-amine is sourced from PubChem (CID 104648384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).