3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine

C12H25NO3 — CID 115707883

IUPAC3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCOCCOCCCNC(C)C1CCOC1
InChIInChI=1S/C12H25NO3/c1-11(12-4-7-16-10-12)13-5-3-6-15-9-8-14-2/h11-13H,3-10H2,1-2H3
InChIKeyZONCLDYVQPFGMC-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.05
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine

3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 115707883) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID115707883
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCOCCOCCCNC(C)C1CCOC1
InChIInChI=1S/C12H25NO3/c1-11(12-4-7-16-10-12)13-5-3-6-15-9-8-14-2/h11-13H,3-10H2,1-2H3
InChIKeyZONCLDYVQPFGMC-UHFFFAOYSA-N
XLogP1.05
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 103906098
2-[2-[1-(oxolan-3-yl)ethylamino]ethoxy]acetamide
CID 106235023
ethyl 4-[1-(oxolan-3-yl)ethylamino]butanoate
CID 104696501
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104749761
N',N'-diethyl-N-[1-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 115704238
N,N-dimethyl-4-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115714064
N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
N-[3-(2-methoxyethoxy)propyl]-1-morpholin-3-ylpropan-2-amine
CID 113461867
N-(3-ethoxypropyl)-1-(oxolan-3-yl)propan-1-amine
CID 115704270
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]propanoate
CID 103785966
N-(1-cyclopentylethyl)-4-methoxybutan-1-amine
CID 62633924

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine (CID 115707883) is 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine is COCCOCCCNC(C)C1CCOC1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is ZONCLDYVQPFGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(12-4-7-16-10-12)13-5-3-6-15-9-8-14-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115707883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).