3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine

C10H22N2O — CID 90323044

IUPAC3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine
SMILESCCCCOC1CC(N)(CNC)C1
InChIInChI=1S/C10H22N2O/c1-3-4-5-13-9-6-10(11,7-9)8-12-2/h9,12H,3-8,11H2,1-2H3
InChIKeyQMVTTWAYDNLAIW-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds6

About 3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine

3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine (PubChem CID 90323044) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine
PubChem CID90323044
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine
SMILESCCCCOC1CC(N)(CNC)C1
InChIInChI=1S/C10H22N2O/c1-3-4-5-13-9-6-10(11,7-9)8-12-2/h9,12H,3-8,11H2,1-2H3
InChIKeyQMVTTWAYDNLAIW-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(methylaminomethyl)cyclobutan-1-amine?
The IUPAC name of 3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine (CID 90323044) is 3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine?
The canonical SMILES for 3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine is CCCCOC1CC(N)(CNC)C1.
What is the InChIKey of 3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine?
The InChIKey is QMVTTWAYDNLAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-4-5-13-9-6-10(11,7-9)8-12-2/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine?
3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-(methylaminomethyl)cyclobutan-1-amine is sourced from PubChem (CID 90323044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).