3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine

C16H34N2O3 — CID 114830393

IUPAC3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN(CCCOC)CCOC)C1(C)C
InChIInChI=1S/C16H34N2O3/c1-6-21-14-12-16(17,15(14,2)3)13-18(9-11-20-5)8-7-10-19-4/h14H,6-13,17H2,1-5H3
InChIKeyIFOUOYQASSDMRC-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.50
Rot. Bonds11

About 3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 114830393) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID114830393
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN(CCCOC)CCOC)C1(C)C
InChIInChI=1S/C16H34N2O3/c1-6-21-14-12-16(17,15(14,2)3)13-18(9-11-20-5)8-7-10-19-4/h14H,6-13,17H2,1-5H3
InChIKeyIFOUOYQASSDMRC-UHFFFAOYSA-N
XLogP1.50
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine (CID 114830393) is 3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CN(CCCOC)CCOC)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is IFOUOYQASSDMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-6-21-14-12-16(17,15(14,2)3)13-18(9-11-20-5)8-7-10-19-4/h14H,6-13,17H2,1-5H3.
What are the key properties of 3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 302.46 g/mol, XLogP of 1.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114830393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).