3-ethoxy-4-methylpentan-1-amine

C8H19NO — CID 56828152

IUPAC3-ethoxy-4-methylpentan-1-amine
SMILESCCOC(CCN)C(C)C
InChIInChI=1S/C8H19NO/c1-4-10-8(5-6-9)7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyABGOVGHCPXGROD-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.40
Rot. Bonds5

About 3-ethoxy-4-methylpentan-1-amine

3-ethoxy-4-methylpentan-1-amine (PubChem CID 56828152) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-ethoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-ethoxy-4-methylpentan-1-amine
PubChem CID56828152
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-ethoxy-4-methylpentan-1-amine
SMILESCCOC(CCN)C(C)C
InChIInChI=1S/C8H19NO/c1-4-10-8(5-6-9)7(2)3/h7-8H,4-6,9H2,1-3H3
InChIKeyABGOVGHCPXGROD-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 3-ethoxy-4-methylpentan-1-amine?
The IUPAC name of 3-ethoxy-4-methylpentan-1-amine (CID 56828152) is 3-ethoxy-4-methylpentan-1-amine.
What is the SMILES notation for 3-ethoxy-4-methylpentan-1-amine?
The canonical SMILES for 3-ethoxy-4-methylpentan-1-amine is CCOC(CCN)C(C)C.
What is the InChIKey of 3-ethoxy-4-methylpentan-1-amine?
The InChIKey is ABGOVGHCPXGROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-10-8(5-6-9)7(2)3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 3-ethoxy-4-methylpentan-1-amine?
3-ethoxy-4-methylpentan-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 3-ethoxy-4-methylpentan-1-amine is sourced from PubChem (CID 56828152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).