2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde

C11H22N2O — CID 115223620

IUPAC2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
SMILESCN1CCC(C(C)(C)CNCC=O)C1
InChIInChI=1S/C11H22N2O/c1-11(2,9-12-5-7-14)10-4-6-13(3)8-10/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyIRJGKHMMBREIRB-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.75
Rot. Bonds5

About 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde

2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde (PubChem CID 115223620) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
PubChem CID115223620
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
SMILESCN1CCC(C(C)(C)CNCC=O)C1
InChIInChI=1S/C11H22N2O/c1-11(2,9-12-5-7-14)10-4-6-13(3)8-10/h7,10,12H,4-6,8-9H2,1-3H3
InChIKeyIRJGKHMMBREIRB-UHFFFAOYSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214441
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115191509
2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
CID 115223611
(E)-4-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]but-2-enoic acid
CID 115237429
2-methyl-2-(1-methylpyrrolidin-3-yl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209785
2-hydroxy-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115140342
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115263731
1-cyano-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]formamide
CID 115172849
2-methyl-2-(methylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]propanamide
CID 115165880
[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol
CID 115249172
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde?
The IUPAC name of 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde (CID 115223620) is 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde?
The canonical SMILES for 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde is CN1CCC(C(C)(C)CNCC=O)C1.
What is the InChIKey of 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde?
The InChIKey is IRJGKHMMBREIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2,9-12-5-7-14)10-4-6-13(3)8-10/h7,10,12H,4-6,8-9H2,1-3H3.
What are the key properties of 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde?
2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde has a molecular weight of 198.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde is sourced from PubChem (CID 115223620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).