1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine

C9H20N2O — CID 167467024

IUPAC1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine
SMILESCCOC1(CNC)CN(CC)C1
InChIInChI=1S/C9H20N2O/c1-4-11-7-9(8-11,6-10-3)12-5-2/h10H,4-8H2,1-3H3
InChIKeyQKXQCSBJVVTRON-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds5

About 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine

1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine (PubChem CID 167467024) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine
PubChem CID167467024
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine
SMILESCCOC1(CNC)CN(CC)C1
InChIInChI=1S/C9H20N2O/c1-4-11-7-9(8-11,6-10-3)12-5-2/h10H,4-8H2,1-3H3
InChIKeyQKXQCSBJVVTRON-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethoxy-3-methylazetidine
CID 83066072
8-Methyl-5-oxa-2,8-diazaspiro(3.5)nonane dihydrochloride
CID 155821468
1-(3-Ethoxy-1-methylazetidin-3-yl)methanamine dihydrochloride
CID 165653909
((3-Methoxyazetidin-3-yl)methyl)dimethylamine dihydrochloride
CID 165943064
[2-(Azetidin-3-yloxy)ethyl]diethylamine
CID 63105151
8-Methyl-5-oxa-2,8-diazaspiro[3.5]nonane
CID 82651307
[(3-Methoxyazetidin-3-yl)methyl]dimethylamine
CID 137437565
2,2,2-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102656759
N-ethyl-2,2,2-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102656851
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102656855
3,3,3-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656923
3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656974

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine (CID 167467024) is 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine is CCOC1(CNC)CN(CC)C1.
What is the InChIKey of 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine?
The InChIKey is QKXQCSBJVVTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-11-7-9(8-11,6-10-3)12-5-2/h10H,4-8H2,1-3H3.
What are the key properties of 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine?
1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-1-ethylazetidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 167467024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).