[1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol

C18H37NO2 — CID 175617410

IUPAC[1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol
SMILESCCCCCCCC(CCC)OCC1(CO)CCCN1C
InChIInChI=1S/C18H37NO2/c1-4-6-7-8-9-12-17(11-5-2)21-16-18(15-20)13-10-14-19(18)3/h17,20H,4-16H2,1-3H3
InChIKeyXBVLLYKKNPXIHY-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.99
Rot. Bonds12

About [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol

[1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol (PubChem CID 175617410) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol
PubChem CID175617410
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name[1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol
SMILESCCCCCCCC(CCC)OCC1(CO)CCCN1C
InChIInChI=1S/C18H37NO2/c1-4-6-7-8-9-12-17(11-5-2)21-16-18(15-20)13-10-14-19(18)3/h17,20H,4-16H2,1-3H3
InChIKeyXBVLLYKKNPXIHY-UHFFFAOYSA-N
XLogP3.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol 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

ethane;(2-ethyl-1-methylpyrrolidin-2-yl)methanol
CID 170726282
2-hexyl-1-methylpyrrolidine-2-carboxylic acid
CID 68621509
2-docosan-10-yloxyethanol
CID 173141834
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851
9-ethoxyoctadecane
CID 87148376
4-icosan-4-yloxyicosane
CID 87313284
4-ethoxydodecane;sulfuric acid
CID 87841741
nonadecan-4-yl hydrogen carbonate
CID 87300318
4-prop-2-enoxydecane
CID 102003307
2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine
CID 118615709
12-butoxyoctadecan-1-ol
CID 139752074
2-[2-[2-[2-(2-nonan-4-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172771806

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol (CID 175617410) is [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol is CCCCCCCC(CCC)OCC1(CO)CCCN1C.
What is the InChIKey of [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol?
The InChIKey is XBVLLYKKNPXIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-7-8-9-12-17(11-5-2)21-16-18(15-20)13-10-14-19(18)3/h17,20H,4-16H2,1-3H3.
What are the key properties of [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol?
[1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol has a molecular weight of 299.50 g/mol, XLogP of 3.99, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(undecan-4-yloxymethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 175617410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).