N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine

C10H22N2O — CID 43180040

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine
SMILESCCN1CCCC1CNCCOC
InChIInChI=1S/C10H22N2O/c1-3-12-7-4-5-10(12)9-11-6-8-13-2/h10-11H,3-9H2,1-2H3
InChIKeyDYMDVFCBUXBUOW-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine (PubChem CID 43180040) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine
PubChem CID43180040
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine
SMILESCCN1CCCC1CNCCOC
InChIInChI=1S/C10H22N2O/c1-3-12-7-4-5-10(12)9-11-6-8-13-2/h10-11H,3-9H2,1-2H3
InChIKeyDYMDVFCBUXBUOW-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
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-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine (CID 43180040) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine is CCN1CCCC1CNCCOC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is DYMDVFCBUXBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-12-7-4-5-10(12)9-11-6-8-13-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 43180040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).