2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

C11H23NO3 — CID 103179188

IUPAC2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESCOCCCOCCNCC1(C)COC1
InChIInChI=1S/C11H23NO3/c1-11(9-15-10-11)8-12-4-7-14-6-3-5-13-2/h12H,3-10H2,1-2H3
InChIKeyZKTJAKLSECQKJI-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.67
Rot. Bonds9

About 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine

2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (PubChem CID 103179188) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
PubChem CID103179188
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESCOCCCOCCNCC1(C)COC1
InChIInChI=1S/C11H23NO3/c1-11(9-15-10-11)8-12-4-7-14-6-3-5-13-2/h12H,3-10H2,1-2H3
InChIKeyZKTJAKLSECQKJI-UHFFFAOYSA-N
XLogP0.67
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.67
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-(6-methoxyhexoxymethyl)-3-methyloxetane
CID 59747426
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074
2-[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopropyl]ethanol
CID 103179565
5-methoxy-N-[(4-methyloxan-4-yl)methyl]pentan-1-amine
CID 104586141
N-[2-(3-methoxypropoxy)ethyl]but-2-yn-1-amine
CID 103179449
4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
CID 103179102
N-[2-(3-methoxypropoxy)ethyl]-1-methylcyclopentan-1-amine
CID 103178720
N-methoxy-1-(3-methyloxetan-3-yl)methanamine;hydrochloride
CID 102571545
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine
CID 103178682
3-methoxy-N-[(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl]propan-1-amine
CID 165476446
4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106299632

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine (CID 103179188) is 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine is COCCCOCCNCC1(C)COC1.
What is the InChIKey of 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The InChIKey is ZKTJAKLSECQKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(9-15-10-11)8-12-4-7-14-6-3-5-13-2/h12H,3-10H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine has a molecular weight of 217.31 g/mol, XLogP of 0.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine is sourced from PubChem (CID 103179188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).