4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine

C13H27NO2 — CID 115710165

IUPAC4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
SMILESCCOCCCCNC(C)CC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-15-9-5-4-8-14-12(2)11-13-7-6-10-16-13/h12-14H,3-11H2,1-2H3
InChIKeyPRHLXOJUVFGOBH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds9

About 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine

4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine (PubChem CID 115710165) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
PubChem CID115710165
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
SMILESCCOCCCCNC(C)CC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-15-9-5-4-8-14-12(2)11-13-7-6-10-16-13/h12-14H,3-11H2,1-2H3
InChIKeyPRHLXOJUVFGOBH-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
N-[2-(oxolan-2-ylmethoxy)ethyl]butan-2-amine
CID 62572646
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
1-methoxy-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104626329
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
CID 43147199
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
N-ethyl-3-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 63717607

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine (CID 115710165) is 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine is CCOCCCCNC(C)CC1CCCO1.
What is the InChIKey of 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine?
The InChIKey is PRHLXOJUVFGOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-15-9-5-4-8-14-12(2)11-13-7-6-10-16-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine?
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine is sourced from PubChem (CID 115710165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).