3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine

C11H24N2O — CID 65175607

IUPAC3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCOCCCNCC1CCN(C)C1
InChIInChI=1S/C11H24N2O/c1-3-14-8-4-6-12-9-11-5-7-13(2)10-11/h11-12H,3-10H2,1-2H3
InChIKeyLXIPWORZCVCOEG-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.95
Rot. Bonds7

About 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine

3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 65175607) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID65175607
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCOCCCNCC1CCN(C)C1
InChIInChI=1S/C11H24N2O/c1-3-14-8-4-6-12-9-11-5-7-13(2)10-11/h11-12H,3-10H2,1-2H3
InChIKeyLXIPWORZCVCOEG-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.95
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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Related Compounds

3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62655051
2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 103178617
2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]ethanol
CID 61070883
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate
CID 103239648
N-[(1-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 60854888
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
N-[(3-chlorocyclobutyl)methyl]-3-ethoxypropan-1-amine
CID 66004138
N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
CID 177009372

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (CID 65175607) is 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is CCOCCCNCC1CCN(C)C1.
What is the InChIKey of 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is LXIPWORZCVCOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-14-8-4-6-12-9-11-5-7-13(2)10-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65175607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).