dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol

C8H18N2O2 — CID 123606610

IUPACdimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol
SMILESCN(C)C(O)N1CCC(CO)C1
InChIInChI=1S/C8H18N2O2/c1-9(2)8(12)10-4-3-7(5-10)6-11/h7-8,11-12H,3-6H2,1-2H3
InChIKeyZWSYNTMRQBXONS-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.86
Rot. Bonds3

About dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol

dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol (PubChem CID 123606610) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol.

Molecular Properties

Compound Namedimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol
PubChem CID123606610
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namedimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol
SMILESCN(C)C(O)N1CCC(CO)C1
InChIInChI=1S/C8H18N2O2/c1-9(2)8(12)10-4-3-7(5-10)6-11/h7-8,11-12H,3-6H2,1-2H3
InChIKeyZWSYNTMRQBXONS-UHFFFAOYSA-N
XLogP-0.86
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
[1-[1-(dimethylamino)-3-methylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 64867752
[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 105400777
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
[1-(1-sulfanylethyl)piperidin-4-yl]methanol
CID 138616110
[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
CID 112624471
3-[3-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 112625795
tert-butyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112692616
2-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 112629345
3-[4-(hydroxymethyl)piperidin-1-yl]butanenitrile
CID 60913650

Frequently Asked Questions

What is the IUPAC name of dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol?
The IUPAC name of dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol (CID 123606610) is dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol.
What is the SMILES notation for dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol?
The canonical SMILES for dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol is CN(C)C(O)N1CCC(CO)C1.
What is the InChIKey of dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol?
The InChIKey is ZWSYNTMRQBXONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-9(2)8(12)10-4-3-7(5-10)6-11/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol?
dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol has a molecular weight of 174.24 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[3-(hydroxymethyl)pyrrolidin-1-yl]methanol is sourced from PubChem (CID 123606610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).