N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine

C12H26N2O — CID 102656728

IUPACN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CCOC1(C)CNC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-14(11(2)3)7-8-15-12(4)9-13-10-12/h11,13H,5-10H2,1-4H3
InChIKeySIMFQPHWQBYQAT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine

N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine (PubChem CID 102656728) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine
PubChem CID102656728
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CCOC1(C)CNC1)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-14(11(2)3)7-8-15-12(4)9-13-10-12/h11,13H,5-10H2,1-4H3
InChIKeySIMFQPHWQBYQAT-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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)cyclopropanamine
CID 102656854
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102656855
3,3,3-trifluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]propan-1-amine
CID 102656974
2,2-difluoro-N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]ethanamine
CID 102657058
4,4,4-trifluoro-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-2-amine
CID 105946135
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 113721346
1-(3-Ethoxy-1-methylazetidin-3-yl)methanamine
CID 115011605
3-[(2-Methylpropan-2-yl)oxy]-1-propan-2-ylazetidine
CID 20517334
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclobutanamine
CID 57632434
N-(2-methoxyethyl)-N-(2-methylpropyl)azetidin-3-amine
CID 62783880

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine (CID 102656728) is N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine is CCCN(CCOC1(C)CNC1)C(C)C.
What is the InChIKey of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is SIMFQPHWQBYQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-6-14(11(2)3)7-8-15-12(4)9-13-10-12/h11,13H,5-10H2,1-4H3.
What are the key properties of N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine?
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102656728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).