2-ethyl-2-(methoxymethyl)octan-1-amine

C12H27NO — CID 139927592

IUPAC2-ethyl-2-(methoxymethyl)octan-1-amine
SMILESCCCCCCC(CC)(CN)COC
InChIInChI=1S/C12H27NO/c1-4-6-7-8-9-12(5-2,10-13)11-14-3/h4-11,13H2,1-3H3
InChIKeyBZUHLOLCTYLKPZ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds9

About 2-ethyl-2-(methoxymethyl)octan-1-amine

2-ethyl-2-(methoxymethyl)octan-1-amine (PubChem CID 139927592) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-ethyl-2-(methoxymethyl)octan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(methoxymethyl)octan-1-amine
PubChem CID139927592
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-ethyl-2-(methoxymethyl)octan-1-amine
SMILESCCCCCCC(CC)(CN)COC
InChIInChI=1S/C12H27NO/c1-4-6-7-8-9-12(5-2,10-13)11-14-3/h4-11,13H2,1-3H3
InChIKeyBZUHLOLCTYLKPZ-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
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-(2-Methoxyethyl)cyclopentyl]methanamine
CID 62723492
[1-(2-Ethoxyethyl)cyclopentyl]methanamine
CID 62724287
2-Methyl-2-(oxan-2-yl)propan-1-amine
CID 71756037
1-[1-(Methoxymethyl)cycloheptyl]methanamine
CID 83905890
2-(Aminomethyl)-2-hexyloctan-1-ol
CID 11615677
2-Aminomethyl-2-butylhexane-1-ol
CID 11658412
2-Aminomethyl-2-pentylheptan-1-ol
CID 102474350
2-Aminomethyl-2-octyldecan-1-ol
CID 102474353
10-Ethoxy-9,9-dimethyldecan-1-amine
CID 3085386
14-Ethoxy-13,13-dimethyltetradecan-1-amine
CID 111508
4-Fluoro-4-(methoxymethyl)dodecan-1-amine
CID 103392406
4-Fluoro-4-(methoxymethyl)undecan-1-amine
CID 103392444

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methoxymethyl)octan-1-amine?
The IUPAC name of 2-ethyl-2-(methoxymethyl)octan-1-amine (CID 139927592) is 2-ethyl-2-(methoxymethyl)octan-1-amine.
What is the SMILES notation for 2-ethyl-2-(methoxymethyl)octan-1-amine?
The canonical SMILES for 2-ethyl-2-(methoxymethyl)octan-1-amine is CCCCCCC(CC)(CN)COC.
What is the InChIKey of 2-ethyl-2-(methoxymethyl)octan-1-amine?
The InChIKey is BZUHLOLCTYLKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-6-7-8-9-12(5-2,10-13)11-14-3/h4-11,13H2,1-3H3.
What are the key properties of 2-ethyl-2-(methoxymethyl)octan-1-amine?
2-ethyl-2-(methoxymethyl)octan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methoxymethyl)octan-1-amine is sourced from PubChem (CID 139927592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).