6-ethyl-2-methoxy-2-methyloctan-4-amine

C12H27NO — CID 103029066

IUPAC6-ethyl-2-methoxy-2-methyloctan-4-amine
SMILESCCC(CC)CC(N)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-6-10(7-2)8-11(13)9-12(3,4)14-5/h10-11H,6-9,13H2,1-5H3
InChIKeyASGXBAOOOWELHC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds7

About 6-ethyl-2-methoxy-2-methyloctan-4-amine

6-ethyl-2-methoxy-2-methyloctan-4-amine (PubChem CID 103029066) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 6-ethyl-2-methoxy-2-methyloctan-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methoxy-2-methyloctan-4-amine
PubChem CID103029066
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name6-ethyl-2-methoxy-2-methyloctan-4-amine
SMILESCCC(CC)CC(N)CC(C)(C)OC
InChIInChI=1S/C12H27NO/c1-6-10(7-2)8-11(13)9-12(3,4)14-5/h10-11H,6-9,13H2,1-5H3
InChIKeyASGXBAOOOWELHC-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methoxy-2-methyloctan-4-amine?
The IUPAC name of 6-ethyl-2-methoxy-2-methyloctan-4-amine (CID 103029066) is 6-ethyl-2-methoxy-2-methyloctan-4-amine.
What is the SMILES notation for 6-ethyl-2-methoxy-2-methyloctan-4-amine?
The canonical SMILES for 6-ethyl-2-methoxy-2-methyloctan-4-amine is CCC(CC)CC(N)CC(C)(C)OC.
What is the InChIKey of 6-ethyl-2-methoxy-2-methyloctan-4-amine?
The InChIKey is ASGXBAOOOWELHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-10(7-2)8-11(13)9-12(3,4)14-5/h10-11H,6-9,13H2,1-5H3.
What are the key properties of 6-ethyl-2-methoxy-2-methyloctan-4-amine?
6-ethyl-2-methoxy-2-methyloctan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methoxy-2-methyloctan-4-amine is sourced from PubChem (CID 103029066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).