1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine

C11H25NO2 — CID 54035623

IUPAC1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine
SMILESCCC(C)OCN(C)COC(C)CC
InChIInChI=1S/C11H25NO2/c1-6-10(3)13-8-12(5)9-14-11(4)7-2/h10-11H,6-9H2,1-5H3
InChIKeyLISSJQBGLGIZPW-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.46
Rot. Bonds8

About 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine

1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine (PubChem CID 54035623) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine
PubChem CID54035623
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine
SMILESCCC(C)OCN(C)COC(C)CC
InChIInChI=1S/C11H25NO2/c1-6-10(3)13-8-12(5)9-14-11(4)7-2/h10-11H,6-9H2,1-5H3
InChIKeyLISSJQBGLGIZPW-UHFFFAOYSA-N
XLogP2.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine?
The IUPAC name of 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine (CID 54035623) is 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine.
What is the SMILES notation for 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine?
The canonical SMILES for 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine is CCC(C)OCN(C)COC(C)CC.
What is the InChIKey of 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine?
The InChIKey is LISSJQBGLGIZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-10(3)13-8-12(5)9-14-11(4)7-2/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine?
1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine has a molecular weight of 203.33 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-N-(butan-2-yloxymethyl)-N-methylmethanamine is sourced from PubChem (CID 54035623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).