N-(2-methoxyethyl)cyclopropanamine

C6H13NO — CID 18944978

IUPACN-(2-methoxyethyl)cyclopropanamine
SMILESCOCCNC1CC1
InChIInChI=1S/C6H13NO/c1-8-5-4-7-6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyFLGBPLJSLMGJAR-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds4

About N-(2-methoxyethyl)cyclopropanamine

N-(2-methoxyethyl)cyclopropanamine (PubChem CID 18944978) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)cyclopropanamine
PubChem CID18944978
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-(2-methoxyethyl)cyclopropanamine
SMILESCOCCNC1CC1
InChIInChI=1S/C6H13NO/c1-8-5-4-7-6-2-3-6/h6-7H,2-5H2,1H3
InChIKeyFLGBPLJSLMGJAR-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)cyclopropanamine?
The IUPAC name of N-(2-methoxyethyl)cyclopropanamine (CID 18944978) is N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-(2-methoxyethyl)cyclopropanamine is COCCNC1CC1.
What is the InChIKey of N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is FLGBPLJSLMGJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-8-5-4-7-6-2-3-6/h6-7H,2-5H2,1H3.
What are the key properties of N-(2-methoxyethyl)cyclopropanamine?
N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 18944978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).