1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde

C9H18N2O — CID 102567892

IUPAC1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
SMILESCN(C)CCN1CCCC1C=O
InChIInChI=1S/C9H18N2O/c1-10(2)6-7-11-5-3-4-9(11)8-12/h8-9H,3-7H2,1-2H3
InChIKeyOSJUXPDWOHXSBC-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.21
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde

1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde (PubChem CID 102567892) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
PubChem CID102567892
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde
SMILESCN(C)CCN1CCCC1C=O
InChIInChI=1S/C9H18N2O/c1-10(2)6-7-11-5-3-4-9(11)8-12/h8-9H,3-7H2,1-2H3
InChIKeyOSJUXPDWOHXSBC-UHFFFAOYSA-N
XLogP0.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

(2S)-1-ethylpyrrolidine-2-carbaldehyde;hydrochloride
CID 142656328
1-hexylpiperidine-2-carbaldehyde
CID 62655866
1-heptylpiperidine-2-carbaldehyde
CID 62655864
1-[3-[2-oxoethyl(propyl)amino]propyl]piperidine-2-carbaldehyde
CID 155394978
1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbaldehyde
CID 84665895
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
1-(3-methylbut-3-enyl)piperidine-2-carbaldehyde
CID 114476661
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidine-2-carbaldehyde
CID 104566931
N-ethyl-3-(2-formylpiperidin-1-yl)propanamide
CID 62654057
1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde
CID 174389315
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880
(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
CID 89344949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde?
The IUPAC name of 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde (CID 102567892) is 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde is CN(C)CCN1CCCC1C=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde?
The InChIKey is OSJUXPDWOHXSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10(2)6-7-11-5-3-4-9(11)8-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde?
1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde has a molecular weight of 170.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 102567892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).