[5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine

C11H23NO2 — CID 62445157

IUPAC[5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine
SMILESCC(C)CCOCC1CCC(CN)O1
InChIInChI=1S/C11H23NO2/c1-9(2)5-6-13-8-11-4-3-10(7-12)14-11/h9-11H,3-8,12H2,1-2H3
InChIKeyXHSOMZWOUSOXAM-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds6

About [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine

[5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine (PubChem CID 62445157) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine
PubChem CID62445157
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine
SMILESCC(C)CCOCC1CCC(CN)O1
InChIInChI=1S/C11H23NO2/c1-9(2)5-6-13-8-11-4-3-10(7-12)14-11/h9-11H,3-8,12H2,1-2H3
InChIKeyXHSOMZWOUSOXAM-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
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 [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine (CID 62445157) is [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine is CC(C)CCOCC1CCC(CN)O1.
What is the InChIKey of [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine?
The InChIKey is XHSOMZWOUSOXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)5-6-13-8-11-4-3-10(7-12)14-11/h9-11H,3-8,12H2,1-2H3.
What are the key properties of [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine?
[5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine has a molecular weight of 201.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutoxymethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 62445157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).