(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine

C13H29NO — CID 118890313

IUPAC(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine
SMILESCC[C@@H](CCCCCN(C)C)CCOC
InChIInChI=1S/C13H29NO/c1-5-13(10-12-15-4)9-7-6-8-11-14(2)3/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyRWBFWUBWHQBGDF-ZDUSSCGKSA-N
MW215.38 g/mol
LogP3.17
Rot. Bonds10

About (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine

(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine (PubChem CID 118890313) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine.

Molecular Properties

Compound Name(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine
PubChem CID118890313
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine
SMILESCC[C@@H](CCCCCN(C)C)CCOC
InChIInChI=1S/C13H29NO/c1-5-13(10-12-15-4)9-7-6-8-11-14(2)3/h13H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyRWBFWUBWHQBGDF-ZDUSSCGKSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-N,N,5-triethyl-7-methoxyheptan-1-amine
CID 118890299
(3R)-3-ethyl-1-methoxynonane
CID 118890071
20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
CID 172995497
4-ethyl-1,11-dimethoxyundecane
CID 171750193
5-(2-heptylnonoxy)-N,N-dimethylpentan-1-amine
CID 170054282
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
CID 118890200
(4S)-4-ethyl-N,N,7,7-tetramethyloctan-1-amine
CID 118887657
4-[3-(dimethylamino)propyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
CID 58251491
3-ethylundecyl 7-[4-(dimethylamino)butanoyloxy]tetradecanoate
CID 171659227
2-ethyl-4-methoxybutan-1-ol
CID 66058779
(3R)-3-ethyl-1-iodo-6-methoxyhexane
CID 118973008

Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine?
The IUPAC name of (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine (CID 118890313) is (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine.
What is the SMILES notation for (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine?
The canonical SMILES for (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine is CC[C@@H](CCCCCN(C)C)CCOC.
What is the InChIKey of (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine?
The InChIKey is RWBFWUBWHQBGDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-13(10-12-15-4)9-7-6-8-11-14(2)3/h13H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine?
(6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethyl-8-methoxy-N,N-dimethyloctan-1-amine is sourced from PubChem (CID 118890313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).