4-ethoxybutan-1-amine

C6H15NO — CID 10441690

IUPAC4-ethoxybutan-1-amine
SMILESCCOCCCCN
InChIInChI=1S/C6H15NO/c1-2-8-6-4-3-5-7/h2-7H2,1H3
InChIKeyGDELFUQKNPLION-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.76
Rot. Bonds5

About 4-ethoxybutan-1-amine

4-ethoxybutan-1-amine (PubChem CID 10441690) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 4-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-ethoxybutan-1-amine
PubChem CID10441690
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name4-ethoxybutan-1-amine
SMILESCCOCCCCN
InChIInChI=1S/C6H15NO/c1-2-8-6-4-3-5-7/h2-7H2,1H3
InChIKeyGDELFUQKNPLION-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 22720
CID 22720
CID 85461
CID 85461
CID 533909
CID 533909
CID 80643
CID 80643
CID 85579
CID 85579
CID 18672813
CID 18672813
CID 58388303
CID 58388303
CID 126972070
CID 126972070
CID 134463015
CID 134463015
CID 166698414
CID 166698414
CID 6992743
CID 6992743
CID 104277006
CID 104277006

Frequently Asked Questions

What is the IUPAC name of 4-ethoxybutan-1-amine?
The IUPAC name of 4-ethoxybutan-1-amine (CID 10441690) is 4-ethoxybutan-1-amine.
What is the SMILES notation for 4-ethoxybutan-1-amine?
The canonical SMILES for 4-ethoxybutan-1-amine is CCOCCCCN.
What is the InChIKey of 4-ethoxybutan-1-amine?
The InChIKey is GDELFUQKNPLION-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-2-8-6-4-3-5-7/h2-7H2,1H3.
What are the key properties of 4-ethoxybutan-1-amine?
4-ethoxybutan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybutan-1-amine is sourced from PubChem (CID 10441690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).