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

C14H30N2O — CID 102656717

IUPACN-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOC1(C)CNC1
InChIInChI=1S/C14H30N2O/c1-4-6-8-16(9-7-5-2)10-11-17-14(3)12-15-13-14/h15H,4-13H2,1-3H3
InChIKeyPGMSLBQWQHHZTN-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds10

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

N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine (PubChem CID 102656717) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
PubChem CID102656717
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOC1(C)CNC1
InChIInChI=1S/C14H30N2O/c1-4-6-8-16(9-7-5-2)10-11-17-14(3)12-15-13-14/h15H,4-13H2,1-3H3
InChIKeyPGMSLBQWQHHZTN-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
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-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
The IUPAC name of N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine (CID 102656717) is N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine is CCCCN(CCCC)CCOC1(C)CNC1.
What is the InChIKey of N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
The InChIKey is PGMSLBQWQHHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-8-16(9-7-5-2)10-11-17-14(3)12-15-13-14/h15H,4-13H2,1-3H3.
What are the key properties of N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine?
N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]butan-1-amine is sourced from PubChem (CID 102656717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).