2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine

C13H27NO2 — CID 114942090

IUPAC2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESCCOC(C)(C)CNCCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-4-16-13(2,3)11-14-9-5-7-12-8-6-10-15-12/h12,14H,4-11H2,1-3H3
InChIKeyQXJFQXIBJPIOJI-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds8

About 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine

2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine (PubChem CID 114942090) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
PubChem CID114942090
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESCCOC(C)(C)CNCCCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-4-16-13(2,3)11-14-9-5-7-12-8-6-10-15-12/h12,14H,4-11H2,1-3H3
InChIKeyQXJFQXIBJPIOJI-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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'}

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Related Compounds

2-methoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 104668685
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63952546
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine (CID 114942090) is 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine is CCOC(C)(C)CNCCCC1CCCO1.
What is the InChIKey of 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The InChIKey is QXJFQXIBJPIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-16-13(2,3)11-14-9-5-7-12-8-6-10-15-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine is sourced from PubChem (CID 114942090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).