4-ethoxy-1-(oxan-4-yl)butan-1-amine

C11H23NO2 — CID 105147258

IUPAC4-ethoxy-1-(oxan-4-yl)butan-1-amine
SMILESCCOCCCC(N)C1CCOCC1
InChIInChI=1S/C11H23NO2/c1-2-13-7-3-4-11(12)10-5-8-14-9-6-10/h10-11H,2-9,12H2,1H3
InChIKeyPURFUXOEPMOWQC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds6

About 4-ethoxy-1-(oxan-4-yl)butan-1-amine

4-ethoxy-1-(oxan-4-yl)butan-1-amine (PubChem CID 105147258) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-ethoxy-1-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(oxan-4-yl)butan-1-amine
PubChem CID105147258
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-ethoxy-1-(oxan-4-yl)butan-1-amine
SMILESCCOCCCC(N)C1CCOCC1
InChIInChI=1S/C11H23NO2/c1-2-13-7-3-4-11(12)10-5-8-14-9-6-10/h10-11H,2-9,12H2,1H3
InChIKeyPURFUXOEPMOWQC-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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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine
CID 105147293
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
CID 82954187
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
1-(oxolan-3-yl)butan-1-amine
CID 63564938
4-methyl-1-(oxan-4-yl)pent-4-en-1-amine
CID 114474933
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116934979
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(oxan-4-yl)butan-1-amine?
The IUPAC name of 4-ethoxy-1-(oxan-4-yl)butan-1-amine (CID 105147258) is 4-ethoxy-1-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(oxan-4-yl)butan-1-amine?
The canonical SMILES for 4-ethoxy-1-(oxan-4-yl)butan-1-amine is CCOCCCC(N)C1CCOCC1.
What is the InChIKey of 4-ethoxy-1-(oxan-4-yl)butan-1-amine?
The InChIKey is PURFUXOEPMOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-13-7-3-4-11(12)10-5-8-14-9-6-10/h10-11H,2-9,12H2,1H3.
What are the key properties of 4-ethoxy-1-(oxan-4-yl)butan-1-amine?
4-ethoxy-1-(oxan-4-yl)butan-1-amine 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 4-ethoxy-1-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 105147258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).