11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol

C16H33NO — CID 11777143

IUPAC11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
SMILESCN1CCC[C@H]1CCCCCCCCCCCO
InChIInChI=1S/C16H33NO/c1-17-14-11-13-16(17)12-9-7-5-3-2-4-6-8-10-15-18/h16,18H,2-15H2,1H3/t16-/m1/s1
InChIKeyUUHVLDUIPUMLIE-MRXNPFEDSA-N
MW255.45 g/mol
LogP3.97
Rot. Bonds11

About 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol

11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol (PubChem CID 11777143) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol.

Molecular Properties

Compound Name11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
PubChem CID11777143
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
SMILESCN1CCC[C@H]1CCCCCCCCCCCO
InChIInChI=1S/C16H33NO/c1-17-14-11-13-16(17)12-9-7-5-3-2-4-6-8-10-15-18/h16,18H,2-15H2,1H3/t16-/m1/s1
InChIKeyUUHVLDUIPUMLIE-MRXNPFEDSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.97
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

3-(1-methylpyrrolidin-2-yl)propan-1-ol tetrafluoroborate
CID 174876425
1-methyl-2-tetradecylpyrrolidine
CID 24796983
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
ethane;N-methyl-3-(1-methylpyrrolidin-2-yl)propan-1-amine
CID 145468327
4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide
CID 174870559
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
N-methyl-4-(1-methylpiperidin-2-yl)butan-1-amine
CID 121221917
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol
CID 162993696
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070

Frequently Asked Questions

What is the IUPAC name of 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol?
The IUPAC name of 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol (CID 11777143) is 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol.
What is the SMILES notation for 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol?
The canonical SMILES for 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol is CN1CCC[C@H]1CCCCCCCCCCCO.
What is the InChIKey of 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol?
The InChIKey is UUHVLDUIPUMLIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H33NO/c1-17-14-11-13-16(17)12-9-7-5-3-2-4-6-8-10-15-18/h16,18H,2-15H2,1H3/t16-/m1/s1.
What are the key properties of 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol?
11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol is sourced from PubChem (CID 11777143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).