N-(2-methoxyethyl)azetidin-3-amine

C6H14N2O — CID 53415187

IUPACN-(2-methoxyethyl)azetidin-3-amine
SMILESCOCCNC1CNC1
InChIInChI=1S/C6H14N2O/c1-9-3-2-8-6-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyCFNMRAPQFRHUDY-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.81
Rot. Bonds4

About N-(2-methoxyethyl)azetidin-3-amine

N-(2-methoxyethyl)azetidin-3-amine (PubChem CID 53415187) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-(2-methoxyethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)azetidin-3-amine
PubChem CID53415187
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-(2-methoxyethyl)azetidin-3-amine
SMILESCOCCNC1CNC1
InChIInChI=1S/C6H14N2O/c1-9-3-2-8-6-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyCFNMRAPQFRHUDY-UHFFFAOYSA-N
XLogP-0.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)azetidin-3-amine?
The IUPAC name of N-(2-methoxyethyl)azetidin-3-amine (CID 53415187) is N-(2-methoxyethyl)azetidin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)azetidin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)azetidin-3-amine is COCCNC1CNC1.
What is the InChIKey of N-(2-methoxyethyl)azetidin-3-amine?
The InChIKey is CFNMRAPQFRHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-9-3-2-8-6-4-7-5-6/h6-8H,2-5H2,1H3.
What are the key properties of N-(2-methoxyethyl)azetidin-3-amine?
N-(2-methoxyethyl)azetidin-3-amine has a molecular weight of 130.19 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)azetidin-3-amine is sourced from PubChem (CID 53415187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).