N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine

C12H26N2O — CID 102656696

IUPACN-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
SMILESCCCCN(CC)CCOC1(C)CNC1
InChIInChI=1S/C12H26N2O/c1-4-6-7-14(5-2)8-9-15-12(3)10-13-11-12/h13H,4-11H2,1-3H3
InChIKeyVDMGZTLBHGXPOH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds8

About N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine

N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine (PubChem CID 102656696) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
PubChem CID102656696
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
SMILESCCCCN(CC)CCOC1(C)CNC1
InChIInChI=1S/C12H26N2O/c1-4-6-7-14(5-2)8-9-15-12(3)10-13-11-12/h13H,4-11H2,1-3H3
InChIKeyVDMGZTLBHGXPOH-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethoxy-3-methylazetidine
CID 83066072
[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
2,2-difluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102657014
4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
CID 102657015
2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102657058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine (CID 102656696) is N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine is CCCCN(CC)CCOC1(C)CNC1.
What is the InChIKey of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
The InChIKey is VDMGZTLBHGXPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-7-14(5-2)8-9-15-12(3)10-13-11-12/h13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine is sourced from PubChem (CID 102656696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).