2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal

C12H23NO — CID 62278121

IUPAC2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal
SMILESCCCC(C)(C=O)CN1CCC(C)C1
InChIInChI=1S/C12H23NO/c1-4-6-12(3,10-14)9-13-7-5-11(2)8-13/h10-11H,4-9H2,1-3H3
InChIKeyHZKCLFXZOSZGDB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds5

About 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal

2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal (PubChem CID 62278121) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal.

Molecular Properties

Compound Name2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal
PubChem CID62278121
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal
SMILESCCCC(C)(C=O)CN1CCC(C)C1
InChIInChI=1S/C12H23NO/c1-4-6-12(3,10-14)9-13-7-5-11(2)8-13/h10-11H,4-9H2,1-3H3
InChIKeyHZKCLFXZOSZGDB-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277215
2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
CID 62277702
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal
CID 66371570
2-methyl-2-(morpholin-4-ylmethyl)pentanal
CID 62276739
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentanal
CID 62277156
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62257595
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277726
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
2-methyl-2-propylpentanal
CID 12587446
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentanal
CID 104691907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal?
The IUPAC name of 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal (CID 62278121) is 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal.
What is the SMILES notation for 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal?
The canonical SMILES for 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal is CCCC(C)(C=O)CN1CCC(C)C1.
What is the InChIKey of 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal?
The InChIKey is HZKCLFXZOSZGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-12(3,10-14)9-13-7-5-11(2)8-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal?
2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal has a molecular weight of 197.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal is sourced from PubChem (CID 62278121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).