N-methoxy-2-pyrrolidin-1-ylethanamine

C7H16N2O — CID 22899273

IUPACN-methoxy-2-pyrrolidin-1-ylethanamine
SMILESCONCCN1CCCC1
InChIInChI=1S/C7H16N2O/c1-10-8-4-7-9-5-2-3-6-9/h8H,2-7H2,1H3
InChIKeyZYUKHPHSTLVXJR-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.23
Rot. Bonds4

About N-methoxy-2-pyrrolidin-1-ylethanamine

N-methoxy-2-pyrrolidin-1-ylethanamine (PubChem CID 22899273) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-methoxy-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-methoxy-2-pyrrolidin-1-ylethanamine
PubChem CID22899273
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-methoxy-2-pyrrolidin-1-ylethanamine
SMILESCONCCN1CCCC1
InChIInChI=1S/C7H16N2O/c1-10-8-4-7-9-5-2-3-6-9/h8H,2-7H2,1H3
InChIKeyZYUKHPHSTLVXJR-UHFFFAOYSA-N
XLogP0.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-methoxy-2-pyrrolidin-1-ylethanamine (CID 22899273) is N-methoxy-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-methoxy-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-methoxy-2-pyrrolidin-1-ylethanamine is CONCCN1CCCC1.
What is the InChIKey of N-methoxy-2-pyrrolidin-1-ylethanamine?
The InChIKey is ZYUKHPHSTLVXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-10-8-4-7-9-5-2-3-6-9/h8H,2-7H2,1H3.
What are the key properties of N-methoxy-2-pyrrolidin-1-ylethanamine?
N-methoxy-2-pyrrolidin-1-ylethanamine has a molecular weight of 144.22 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 22899273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).