[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol

C15H30N2O2 — CID 111448331

IUPAC[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCCCN1CCCC1CO
InChIInChI=1S/C15H30N2O2/c18-12-14-6-4-10-16(14)8-2-1-3-9-17-11-5-7-15(17)13-19/h14-15,18-19H,1-13H2
InChIKeyOALMOPKYCLOANC-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.07
Rot. Bonds8

About [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol

[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol (PubChem CID 111448331) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
PubChem CID111448331
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCCCN1CCCC1CO
InChIInChI=1S/C15H30N2O2/c18-12-14-6-4-10-16(14)8-2-1-3-9-17-11-5-7-15(17)13-19/h14-15,18-19H,1-13H2
InChIKeyOALMOPKYCLOANC-UHFFFAOYSA-N
XLogP1.07
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731
[1-(5-sulfanylpentyl)azepan-2-yl]methanol
CID 116640612
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
CID 111114732
[(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol
CID 114192421

Frequently Asked Questions

What is the IUPAC name of [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol (CID 111448331) is [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CCCCCN1CCCC1CO.
What is the InChIKey of [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol?
The InChIKey is OALMOPKYCLOANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c18-12-14-6-4-10-16(14)8-2-1-3-9-17-11-5-7-15(17)13-19/h14-15,18-19H,1-13H2.
What are the key properties of [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol?
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol has a molecular weight of 270.42 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111448331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).