3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol

C12H25NO2 — CID 66006380

IUPAC3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol
SMILESCC(C)CCOCCNCC1CC(O)C1
InChIInChI=1S/C12H25NO2/c1-10(2)3-5-15-6-4-13-9-11-7-12(14)8-11/h10-14H,3-9H2,1-2H3
InChIKeyAFECOTQQHIWYBL-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.41
Rot. Bonds8

About 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol

3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol (PubChem CID 66006380) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol
PubChem CID66006380
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol
SMILESCC(C)CCOCCNCC1CC(O)C1
InChIInChI=1S/C12H25NO2/c1-10(2)3-5-15-6-4-13-9-11-7-12(14)8-11/h10-14H,3-9H2,1-2H3
InChIKeyAFECOTQQHIWYBL-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.41
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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Related Compounds

N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-[(3-chlorocyclopentyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 106121063
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide
CID 79394303
2-(3-methylbutoxy)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585393
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
2-(3-methylbutoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106633835
N-[(2-ethyloxolan-3-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 114105549
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclohexan-1-ol
CID 106132340
1-(cyclopropylmethyl)-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 111868128
3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905338

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol (CID 66006380) is 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol is CC(C)CCOCCNCC1CC(O)C1.
What is the InChIKey of 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol?
The InChIKey is AFECOTQQHIWYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)3-5-15-6-4-13-9-11-7-12(14)8-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol?
3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylbutoxy)ethylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66006380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).