2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol

C9H20N2O — CID 116857325

IUPAC2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(CO)N(C)C)C1
InChIInChI=1S/C9H20N2O/c1-10(2)9(7-12)8-4-5-11(3)6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyWAJNGBGTZGGCBE-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.14
Rot. Bonds3

About 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol

2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol (PubChem CID 116857325) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol
PubChem CID116857325
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol
SMILESCN1CCC(C(CO)N(C)C)C1
InChIInChI=1S/C9H20N2O/c1-10(2)9(7-12)8-4-5-11(3)6-8/h8-9,12H,4-7H2,1-3H3
InChIKeyWAJNGBGTZGGCBE-UHFFFAOYSA-N
XLogP-0.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116907508
4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butan-2-one
CID 116910588
N,N-dimethyl-1-(1-methylpyrrolidin-3-yl)-4-piperazin-1-ylbutan-1-amine
CID 116911286
2-cyclobutyl-2-(dimethylamino)ethanol
CID 116857326
N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 82406005
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
CID 115250966
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
4-(dimethylamino)-3-methyl-4-(1-methylpyrrolidin-3-yl)butanoic acid
CID 116908186
N',N'-dimethyl-2-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237610
2-(dimethylamino)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238580
3-[1-(dimethylamino)-2-hydroxyethyl]cyclopentan-1-ol
CID 130125292

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol (CID 116857325) is 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol is CN1CCC(C(CO)N(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol?
The InChIKey is WAJNGBGTZGGCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10(2)9(7-12)8-4-5-11(3)6-8/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol?
2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol has a molecular weight of 172.27 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(1-methylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 116857325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).