N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine

C12H24N2O — CID 102657057

IUPACN-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine
SMILESC=CCCCN(C)CCOC1(C)CNC1
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-14(3)8-9-15-12(2)10-13-11-12/h4,13H,1,5-11H2,2-3H3
InChIKeyZVOIOCXNPLFRQC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds8

About N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine

N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine (PubChem CID 102657057) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine
PubChem CID102657057
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine
SMILESC=CCCCN(C)CCOC1(C)CNC1
InChIInChI=1S/C12H24N2O/c1-4-5-6-7-14(3)8-9-15-12(2)10-13-11-12/h4,13H,1,5-11H2,2-3H3
InChIKeyZVOIOCXNPLFRQC-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-But-3-enoxy-3-methylazetidine
CID 83065428
3-Methyl-3-pent-4-enoxyazetidine
CID 83067660
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 102656672
N-ethyl-2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102656710
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657023
N-ethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657024
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-1-amine
CID 102657025
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
CID 102657026
2-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylpropan-2-amine
CID 102657028
N,2-dimethyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]prop-2-en-1-amine
CID 102657055
1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657073
4-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]-3,6-dihydro-2H-pyridine
CID 102657074

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine?
The IUPAC name of N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine (CID 102657057) is N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine.
What is the SMILES notation for N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine?
The canonical SMILES for N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine is C=CCCCN(C)CCOC1(C)CNC1.
What is the InChIKey of N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine?
The InChIKey is ZVOIOCXNPLFRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-7-14(3)8-9-15-12(2)10-13-11-12/h4,13H,1,5-11H2,2-3H3.
What are the key properties of N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine?
N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylazetidin-3-yl)oxyethyl]pent-4-en-1-amine is sourced from PubChem (CID 102657057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).