(1-dodecylpyrrolidin-2-yl)methanol

C17H35NO — CID 63468146

IUPAC(1-dodecylpyrrolidin-2-yl)methanol
SMILESCCCCCCCCCCCCN1CCCC1CO
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-17(18)16-19/h17,19H,2-16H2,1H3
InChIKeyDCGLYIGADNSHDT-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.36
Rot. Bonds12

About (1-dodecylpyrrolidin-2-yl)methanol

(1-dodecylpyrrolidin-2-yl)methanol (PubChem CID 63468146) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is (1-dodecylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-dodecylpyrrolidin-2-yl)methanol
PubChem CID63468146
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name(1-dodecylpyrrolidin-2-yl)methanol
SMILESCCCCCCCCCCCCN1CCCC1CO
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-17(18)16-19/h17,19H,2-16H2,1H3
InChIKeyDCGLYIGADNSHDT-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
2-ethyl-1-undecylpyrrolidine
CID 171569857
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
2-butyl-1-dodecylpyrrolidine;methanesulfonic acid
CID 175583822
[(2S)-1-[2-(4-dodecylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735622
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157

Frequently Asked Questions

What is the IUPAC name of (1-dodecylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-dodecylpyrrolidin-2-yl)methanol (CID 63468146) is (1-dodecylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-dodecylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-dodecylpyrrolidin-2-yl)methanol is CCCCCCCCCCCCN1CCCC1CO.
What is the InChIKey of (1-dodecylpyrrolidin-2-yl)methanol?
The InChIKey is DCGLYIGADNSHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-17(18)16-19/h17,19H,2-16H2,1H3.
What are the key properties of (1-dodecylpyrrolidin-2-yl)methanol?
(1-dodecylpyrrolidin-2-yl)methanol has a molecular weight of 269.47 g/mol, XLogP of 4.36, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dodecylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 63468146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).