3-ethoxybutan-1-amine

C6H15NO — CID 19840840

IUPAC3-ethoxybutan-1-amine
SMILESCCOC(C)CCN
InChIInChI=1S/C6H15NO/c1-3-8-6(2)4-5-7/h6H,3-5,7H2,1-2H3
InChIKeyDRWMUUNKNWYKFF-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.76
Rot. Bonds4

About 3-ethoxybutan-1-amine

3-ethoxybutan-1-amine (PubChem CID 19840840) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 3-ethoxybutan-1-amine.

Molecular Properties

Compound Name3-ethoxybutan-1-amine
PubChem CID19840840
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name3-ethoxybutan-1-amine
SMILESCCOC(C)CCN
InChIInChI=1S/C6H15NO/c1-3-8-6(2)4-5-7/h6H,3-5,7H2,1-2H3
InChIKeyDRWMUUNKNWYKFF-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxybutan-1-amine?
The IUPAC name of 3-ethoxybutan-1-amine (CID 19840840) is 3-ethoxybutan-1-amine.
What is the SMILES notation for 3-ethoxybutan-1-amine?
The canonical SMILES for 3-ethoxybutan-1-amine is CCOC(C)CCN.
What is the InChIKey of 3-ethoxybutan-1-amine?
The InChIKey is DRWMUUNKNWYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-8-6(2)4-5-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-ethoxybutan-1-amine?
3-ethoxybutan-1-amine has a molecular weight of 117.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxybutan-1-amine is sourced from PubChem (CID 19840840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).