3-butoxy-1-methylcyclobutan-1-amine

C9H19NO — CID 118087407

IUPAC3-butoxy-1-methylcyclobutan-1-amine
SMILESCCCCOC1CC(C)(N)C1
InChIInChI=1S/C9H19NO/c1-3-4-5-11-8-6-9(2,10)7-8/h8H,3-7,10H2,1-2H3
InChIKeyHERACHLENKVHFD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.68
Rot. Bonds4

About 3-butoxy-1-methylcyclobutan-1-amine

3-butoxy-1-methylcyclobutan-1-amine (PubChem CID 118087407) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-butoxy-1-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-butoxy-1-methylcyclobutan-1-amine
PubChem CID118087407
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-butoxy-1-methylcyclobutan-1-amine
SMILESCCCCOC1CC(C)(N)C1
InChIInChI=1S/C9H19NO/c1-3-4-5-11-8-6-9(2,10)7-8/h8H,3-7,10H2,1-2H3
InChIKeyHERACHLENKVHFD-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.68
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 3-butoxy-1-methylcyclobutan-1-amine?
The IUPAC name of 3-butoxy-1-methylcyclobutan-1-amine (CID 118087407) is 3-butoxy-1-methylcyclobutan-1-amine.
What is the SMILES notation for 3-butoxy-1-methylcyclobutan-1-amine?
The canonical SMILES for 3-butoxy-1-methylcyclobutan-1-amine is CCCCOC1CC(C)(N)C1.
What is the InChIKey of 3-butoxy-1-methylcyclobutan-1-amine?
The InChIKey is HERACHLENKVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-11-8-6-9(2,10)7-8/h8H,3-7,10H2,1-2H3.
What are the key properties of 3-butoxy-1-methylcyclobutan-1-amine?
3-butoxy-1-methylcyclobutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-methylcyclobutan-1-amine is sourced from PubChem (CID 118087407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).