2-ethyl-3-methoxybutan-1-amine

C7H17NO — CID 88936076

IUPAC2-ethyl-3-methoxybutan-1-amine
SMILESCCC(CN)C(C)OC
InChIInChI=1S/C7H17NO/c1-4-7(5-8)6(2)9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyYATPPZPGVSVQCY-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.01
Rot. Bonds4

About 2-ethyl-3-methoxybutan-1-amine

2-ethyl-3-methoxybutan-1-amine (PubChem CID 88936076) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-ethyl-3-methoxybutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-methoxybutan-1-amine
PubChem CID88936076
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-ethyl-3-methoxybutan-1-amine
SMILESCCC(CN)C(C)OC
InChIInChI=1S/C7H17NO/c1-4-7(5-8)6(2)9-3/h6-7H,4-5,8H2,1-3H3
InChIKeyYATPPZPGVSVQCY-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxybutan-1-amine?
The IUPAC name of 2-ethyl-3-methoxybutan-1-amine (CID 88936076) is 2-ethyl-3-methoxybutan-1-amine.
What is the SMILES notation for 2-ethyl-3-methoxybutan-1-amine?
The canonical SMILES for 2-ethyl-3-methoxybutan-1-amine is CCC(CN)C(C)OC.
What is the InChIKey of 2-ethyl-3-methoxybutan-1-amine?
The InChIKey is YATPPZPGVSVQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-7(5-8)6(2)9-3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-ethyl-3-methoxybutan-1-amine?
2-ethyl-3-methoxybutan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxybutan-1-amine is sourced from PubChem (CID 88936076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).