N-ethyl-4-methoxy-3-methylbutan-1-amine

C8H19NO — CID 78959175

IUPACN-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNCCC(C)COC
InChIInChI=1S/C8H19NO/c1-4-9-6-5-8(2)7-10-3/h8-9H,4-7H2,1-3H3
InChIKeyUMZGVFBXYLDJIH-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.27
Rot. Bonds6

About N-ethyl-4-methoxy-3-methylbutan-1-amine

N-ethyl-4-methoxy-3-methylbutan-1-amine (PubChem CID 78959175) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-ethyl-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-3-methylbutan-1-amine
PubChem CID78959175
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNCCC(C)COC
InChIInChI=1S/C8H19NO/c1-4-9-6-5-8(2)7-10-3/h8-9H,4-7H2,1-3H3
InChIKeyUMZGVFBXYLDJIH-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-3-methylbutan-1-amine (CID 78959175) is N-ethyl-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-3-methylbutan-1-amine is CCNCCC(C)COC.
What is the InChIKey of N-ethyl-4-methoxy-3-methylbutan-1-amine?
The InChIKey is UMZGVFBXYLDJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-9-6-5-8(2)7-10-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-3-methylbutan-1-amine?
N-ethyl-4-methoxy-3-methylbutan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 78959175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).