4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde

C11H22N2O — CID 18723532

IUPAC4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde
SMILESCCN(CC)CC1CN(C)CC1C=O
InChIInChI=1S/C11H22N2O/c1-4-13(5-2)8-10-6-12(3)7-11(10)9-14/h9-11H,4-8H2,1-3H3
InChIKeyUJJCPVYTIWXJEX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.70
Rot. Bonds5

About 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde

4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde (PubChem CID 18723532) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde
PubChem CID18723532
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde
SMILESCCN(CC)CC1CN(C)CC1C=O
InChIInChI=1S/C11H22N2O/c1-4-13(5-2)8-10-6-12(3)7-11(10)9-14/h9-11H,4-8H2,1-3H3
InChIKeyUJJCPVYTIWXJEX-UHFFFAOYSA-N
XLogP0.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.70
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 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde?
The IUPAC name of 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde (CID 18723532) is 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde?
The canonical SMILES for 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde is CCN(CC)CC1CN(C)CC1C=O.
What is the InChIKey of 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde?
The InChIKey is UJJCPVYTIWXJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-13(5-2)8-10-6-12(3)7-11(10)9-14/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde?
4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde has a molecular weight of 198.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-1-methylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 18723532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).