2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol

C10H23N3O — CID 117004407

IUPAC2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
SMILESCN(C)CCN1CCC(NCCO)C1
InChIInChI=1S/C10H23N3O/c1-12(2)6-7-13-5-3-10(9-13)11-4-8-14/h10-11,14H,3-9H2,1-2H3
InChIKeyCNQHKMKFOALVOA-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.80
Rot. Bonds6

About 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol

2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol (PubChem CID 117004407) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
PubChem CID117004407
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
SMILESCN(C)CCN1CCC(NCCO)C1
InChIInChI=1S/C10H23N3O/c1-12(2)6-7-13-5-3-10(9-13)11-4-8-14/h10-11,14H,3-9H2,1-2H3
InChIKeyCNQHKMKFOALVOA-UHFFFAOYSA-N
XLogP-0.80
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
CID 117004168
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
2-[(3S)-3-(ethylamino)pyrrolidin-1-yl]ethanol
CID 153330305
2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile
CID 117004768
N-[1-(2-aminoethyl)piperidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 117027507
undecyl 6-[3-[3-(dimethylamino)propylamino]pyrrolidin-1-yl]hexanoate
CID 171562701
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895987
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
1-[2-(dimethylamino)ethyl]-N-propan-2-ylpiperidin-4-amine
CID 129189230
1-[2-(dimethylamino)ethyl]-3-methyl-N-propylpiperidin-4-amine
CID 114499538
2-[(1-ethylazetidin-3-yl)amino]ethanol
CID 126997572

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol (CID 117004407) is 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol is CN(C)CCN1CCC(NCCO)C1.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol?
The InChIKey is CNQHKMKFOALVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-12(2)6-7-13-5-3-10(9-13)11-4-8-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol?
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol has a molecular weight of 201.31 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol is sourced from PubChem (CID 117004407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).