N-(ethoxy(111C)methyl)-N-methylbutan-1-amine

C8H19NO — CID 59034270

IUPACN-(ethoxy(111C)methyl)-N-methylbutan-1-amine
SMILESCCCCN(C)[11CH2]OCC
InChIInChI=1S/C8H19NO/c1-4-6-7-9(3)8-10-5-2/h4-8H2,1-3H3/i8-1
InChIKeyVJQAOWPJBNRESR-COJKEBBMSA-N
MW144.25 g/mol
LogP1.71
Rot. Bonds6

About N-(ethoxy(111C)methyl)-N-methylbutan-1-amine

N-(ethoxy(111C)methyl)-N-methylbutan-1-amine (PubChem CID 59034270) has the molecular formula C8H19NO and a molecular weight of 144.25 g/mol. Its IUPAC name is N-(ethoxy(111C)methyl)-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-(ethoxy(111C)methyl)-N-methylbutan-1-amine
PubChem CID59034270
Molecular FormulaC8H19NO
Molecular Weight144.25 g/mol
Exact Mass144.16
IUPAC NameN-(ethoxy(111C)methyl)-N-methylbutan-1-amine
SMILESCCCCN(C)[11CH2]OCC
InChIInChI=1S/C8H19NO/c1-4-6-7-9(3)8-10-5-2/h4-8H2,1-3H3/i8-1
InChIKeyVJQAOWPJBNRESR-COJKEBBMSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethoxy(111C)methyl)-N-methylbutan-1-amine?
The IUPAC name of N-(ethoxy(111C)methyl)-N-methylbutan-1-amine (CID 59034270) is N-(ethoxy(111C)methyl)-N-methylbutan-1-amine.
What is the SMILES notation for N-(ethoxy(111C)methyl)-N-methylbutan-1-amine?
The canonical SMILES for N-(ethoxy(111C)methyl)-N-methylbutan-1-amine is CCCCN(C)[11CH2]OCC.
What is the InChIKey of N-(ethoxy(111C)methyl)-N-methylbutan-1-amine?
The InChIKey is VJQAOWPJBNRESR-COJKEBBMSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-6-7-9(3)8-10-5-2/h4-8H2,1-3H3/i8-1.
What are the key properties of N-(ethoxy(111C)methyl)-N-methylbutan-1-amine?
N-(ethoxy(111C)methyl)-N-methylbutan-1-amine has a molecular weight of 144.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxy(111C)methyl)-N-methylbutan-1-amine is sourced from PubChem (CID 59034270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).