4-ethoxyhexan-1-amine

C8H19NO — CID 21432824

IUPAC4-ethoxyhexan-1-amine
SMILESCCOC(CC)CCCN
InChIInChI=1S/C8H19NO/c1-3-8(10-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3
InChIKeyWTEPEZPGPKMURT-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.54
Rot. Bonds6

About 4-ethoxyhexan-1-amine

4-ethoxyhexan-1-amine (PubChem CID 21432824) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-ethoxyhexan-1-amine.

Molecular Properties

Compound Name4-ethoxyhexan-1-amine
PubChem CID21432824
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4-ethoxyhexan-1-amine
SMILESCCOC(CC)CCCN
InChIInChI=1S/C8H19NO/c1-3-8(10-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3
InChIKeyWTEPEZPGPKMURT-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 4-ethoxyhexan-1-amine?
The IUPAC name of 4-ethoxyhexan-1-amine (CID 21432824) is 4-ethoxyhexan-1-amine.
What is the SMILES notation for 4-ethoxyhexan-1-amine?
The canonical SMILES for 4-ethoxyhexan-1-amine is CCOC(CC)CCCN.
What is the InChIKey of 4-ethoxyhexan-1-amine?
The InChIKey is WTEPEZPGPKMURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-8(10-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-ethoxyhexan-1-amine?
4-ethoxyhexan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyhexan-1-amine is sourced from PubChem (CID 21432824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).