3-ethyl-3-methoxypentan-1-amine

C8H19NO — CID 83904994

IUPAC3-ethyl-3-methoxypentan-1-amine
SMILESCCC(CC)(CCN)OC
InChIInChI=1S/C8H19NO/c1-4-8(5-2,10-3)6-7-9/h4-7,9H2,1-3H3
InChIKeyJXBAUSLGYBCBJL-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.54
Rot. Bonds5

About 3-ethyl-3-methoxypentan-1-amine

3-ethyl-3-methoxypentan-1-amine (PubChem CID 83904994) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-ethyl-3-methoxypentan-1-amine.

Molecular Properties

Compound Name3-ethyl-3-methoxypentan-1-amine
PubChem CID83904994
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-ethyl-3-methoxypentan-1-amine
SMILESCCC(CC)(CCN)OC
InChIInChI=1S/C8H19NO/c1-4-8(5-2,10-3)6-7-9/h4-7,9H2,1-3H3
InChIKeyJXBAUSLGYBCBJL-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxypentan-1-amine?
The IUPAC name of 3-ethyl-3-methoxypentan-1-amine (CID 83904994) is 3-ethyl-3-methoxypentan-1-amine.
What is the SMILES notation for 3-ethyl-3-methoxypentan-1-amine?
The canonical SMILES for 3-ethyl-3-methoxypentan-1-amine is CCC(CC)(CCN)OC.
What is the InChIKey of 3-ethyl-3-methoxypentan-1-amine?
The InChIKey is JXBAUSLGYBCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-8(5-2,10-3)6-7-9/h4-7,9H2,1-3H3.
What are the key properties of 3-ethyl-3-methoxypentan-1-amine?
3-ethyl-3-methoxypentan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxypentan-1-amine is sourced from PubChem (CID 83904994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).