N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine

C10H20N2O — CID 103339325

IUPACN-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CNC1
InChIInChI=1S/C10H20N2O/c1-3-4-12(5-6-13-2)9-10-7-11-8-10/h3,10-11H,1,4-9H2,2H3
InChIKeyORRIXOQFSLNAKR-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.34
Rot. Bonds7

About N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine

N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 103339325) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID103339325
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CNC1
InChIInChI=1S/C10H20N2O/c1-3-4-12(5-6-13-2)9-10-7-11-8-10/h3,10-11H,1,4-9H2,2H3
InChIKeyORRIXOQFSLNAKR-UHFFFAOYSA-N
XLogP0.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methoxyethyl)azetidin-3-yl]-N-methylmethanamine
CID 89432085
2-methoxy-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 134180077
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-prop-2-enylethane-1,2-diamine
CID 62553698
N'-(2-methoxyethyl)-N'-(2-methylpropyl)but-2-ene-1,4-diamine
CID 77110449
N-[2-(3-methylazetidin-3-yl)oxyethyl]-N-prop-2-enylprop-2-en-1-amine
CID 102656672
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-ethyl-N'-(2-methoxyethyl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069712
N-(2-methoxyethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069715

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine (CID 103339325) is N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine is C=CCN(CCOC)CC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is ORRIXOQFSLNAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-12(5-6-13-2)9-10-7-11-8-10/h3,10-11H,1,4-9H2,2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 103339325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).