1-cyclobutyl-2-propoxyethanamine

C9H19NO — CID 79574058

IUPAC1-cyclobutyl-2-propoxyethanamine
SMILESCCCOCC(N)C1CCC1
InChIInChI=1S/C9H19NO/c1-2-6-11-7-9(10)8-4-3-5-8/h8-9H,2-7,10H2,1H3
InChIKeyGOHRYIGPCNQIHS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds5

About 1-cyclobutyl-2-propoxyethanamine

1-cyclobutyl-2-propoxyethanamine (PubChem CID 79574058) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-cyclobutyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-propoxyethanamine
PubChem CID79574058
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-cyclobutyl-2-propoxyethanamine
SMILESCCCOCC(N)C1CCC1
InChIInChI=1S/C9H19NO/c1-2-6-11-7-9(10)8-4-3-5-8/h8-9H,2-7,10H2,1H3
InChIKeyGOHRYIGPCNQIHS-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
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 1-cyclobutyl-2-propoxyethanamine?
The IUPAC name of 1-cyclobutyl-2-propoxyethanamine (CID 79574058) is 1-cyclobutyl-2-propoxyethanamine.
What is the SMILES notation for 1-cyclobutyl-2-propoxyethanamine?
The canonical SMILES for 1-cyclobutyl-2-propoxyethanamine is CCCOCC(N)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-propoxyethanamine?
The InChIKey is GOHRYIGPCNQIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-6-11-7-9(10)8-4-3-5-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-cyclobutyl-2-propoxyethanamine?
1-cyclobutyl-2-propoxyethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-propoxyethanamine is sourced from PubChem (CID 79574058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).