2-ethyl-3-methoxypentan-1-amine

C8H19NO — CID 88936075

IUPAC2-ethyl-3-methoxypentan-1-amine
SMILESCCC(CN)C(CC)OC
InChIInChI=1S/C8H19NO/c1-4-7(6-9)8(5-2)10-3/h7-8H,4-6,9H2,1-3H3
InChIKeyNHTCJNNRZNRSGQ-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.40
Rot. Bonds5

About 2-ethyl-3-methoxypentan-1-amine

2-ethyl-3-methoxypentan-1-amine (PubChem CID 88936075) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-ethyl-3-methoxypentan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-methoxypentan-1-amine
PubChem CID88936075
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-ethyl-3-methoxypentan-1-amine
SMILESCCC(CN)C(CC)OC
InChIInChI=1S/C8H19NO/c1-4-7(6-9)8(5-2)10-3/h7-8H,4-6,9H2,1-3H3
InChIKeyNHTCJNNRZNRSGQ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxypentan-1-amine?
The IUPAC name of 2-ethyl-3-methoxypentan-1-amine (CID 88936075) is 2-ethyl-3-methoxypentan-1-amine.
What is the SMILES notation for 2-ethyl-3-methoxypentan-1-amine?
The canonical SMILES for 2-ethyl-3-methoxypentan-1-amine is CCC(CN)C(CC)OC.
What is the InChIKey of 2-ethyl-3-methoxypentan-1-amine?
The InChIKey is NHTCJNNRZNRSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-7(6-9)8(5-2)10-3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 2-ethyl-3-methoxypentan-1-amine?
2-ethyl-3-methoxypentan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxypentan-1-amine is sourced from PubChem (CID 88936075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).