2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde

C9H18N2O — CID 63207778

IUPAC2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde
SMILESCN(CC=O)CCN1CCCC1
InChIInChI=1S/C9H18N2O/c1-10(8-9-12)6-7-11-4-2-3-5-11/h9H,2-8H2,1H3
InChIKeyXQRAQGJAYGHCAT-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.21
Rot. Bonds5

About 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde

2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde (PubChem CID 63207778) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde
PubChem CID63207778
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde
SMILESCN(CC=O)CCN1CCCC1
InChIInChI=1S/C9H18N2O/c1-10(8-9-12)6-7-11-4-2-3-5-11/h9H,2-8H2,1H3
InChIKeyXQRAQGJAYGHCAT-UHFFFAOYSA-N
XLogP0.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde?
The IUPAC name of 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde (CID 63207778) is 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde.
What is the SMILES notation for 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde?
The canonical SMILES for 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde is CN(CC=O)CCN1CCCC1.
What is the InChIKey of 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde?
The InChIKey is XQRAQGJAYGHCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10(8-9-12)6-7-11-4-2-3-5-11/h9H,2-8H2,1H3.
What are the key properties of 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde?
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde has a molecular weight of 170.26 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetaldehyde is sourced from PubChem (CID 63207778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).