2-methoxy-N,2-dimethyloctan-3-amine

C11H25NO — CID 79198599

IUPAC2-methoxy-N,2-dimethyloctan-3-amine
SMILESCCCCCC(NC)C(C)(C)OC
InChIInChI=1S/C11H25NO/c1-6-7-8-9-10(12-4)11(2,3)13-5/h10,12H,6-9H2,1-5H3
InChIKeyYCOCQHDQANCILI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds7

About 2-methoxy-N,2-dimethyloctan-3-amine

2-methoxy-N,2-dimethyloctan-3-amine (PubChem CID 79198599) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethyloctan-3-amine.

Molecular Properties

Compound Name2-methoxy-N,2-dimethyloctan-3-amine
PubChem CID79198599
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methoxy-N,2-dimethyloctan-3-amine
SMILESCCCCCC(NC)C(C)(C)OC
InChIInChI=1S/C11H25NO/c1-6-7-8-9-10(12-4)11(2,3)13-5/h10,12H,6-9H2,1-5H3
InChIKeyYCOCQHDQANCILI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
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

2-methoxy-2-methyl-N-propyldecan-3-amine
CID 79198158
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603
7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
CID 115517311
(4R)-N,3,3-trimethylnonan-4-amine
CID 126620511
2-[butyl-[4-methoxy-4-methyl-3-(methylamino)pentyl]amino]ethanol
CID 114229098
N,3,3-trimethylhexadecan-4-amine
CID 115846506
2-methoxy-2,3-dimethylundecane
CID 150941081
2-N,2-N-diethyl-3-N,2-dimethyldecane-2,3-diamine
CID 79052772
2-N,2-N-diethyl-3-N,2-dimethylnonane-2,3-diamine
CID 79052771
2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
CID 79053578
2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,2-dimethyloctan-3-amine?
The IUPAC name of 2-methoxy-N,2-dimethyloctan-3-amine (CID 79198599) is 2-methoxy-N,2-dimethyloctan-3-amine.
What is the SMILES notation for 2-methoxy-N,2-dimethyloctan-3-amine?
The canonical SMILES for 2-methoxy-N,2-dimethyloctan-3-amine is CCCCCC(NC)C(C)(C)OC.
What is the InChIKey of 2-methoxy-N,2-dimethyloctan-3-amine?
The InChIKey is YCOCQHDQANCILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-7-8-9-10(12-4)11(2,3)13-5/h10,12H,6-9H2,1-5H3.
What are the key properties of 2-methoxy-N,2-dimethyloctan-3-amine?
2-methoxy-N,2-dimethyloctan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethyloctan-3-amine is sourced from PubChem (CID 79198599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).