3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride

C7H18Cl2N2O — CID 126797033

IUPAC3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCN(C)CC1(O)CCNC1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-9(2)6-7(10)3-4-8-5-7;;/h8,10H,3-6H2,1-2H3;2*1H
InChIKeyMHXCMTKUKPDZMS-UHFFFAOYSA-N
MW217.14 g/mol
LogP0.12
Rot. Bonds2

About 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride

3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride (PubChem CID 126797033) has the molecular formula C7H18Cl2N2O and a molecular weight of 217.14 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride
PubChem CID126797033
Molecular FormulaC7H18Cl2N2O
Molecular Weight217.14 g/mol
Exact Mass216.08
IUPAC Name3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride
SMILESCN(C)CC1(O)CCNC1.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-9(2)6-7(10)3-4-8-5-7;;/h8,10H,3-6H2,1-2H3;2*1H
InChIKeyMHXCMTKUKPDZMS-UHFFFAOYSA-N
XLogP0.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylpyrrolidin-3-ol
CID 14578458
3-Methylpyrrolidin-3-ol hydrochloride
CID 53346559
(3R)-3-Methylpyrrolidin-3-ol
CID 55288331
3-((Dimethylamino)methyl)pyrrolidin-3-ol
CID 14578459
3-[[2,2-Difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761041
3-[[Methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol
CID 114761109
3-[[3-Fluoropropyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761150
3-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol
CID 114761177
3-[[2-Fluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761269
3-Ethylaminomethyl-3-hydroxypyrrolidine
CID 14578450
3-(Aminomethyl)pyrrolidin-3-ol
CID 14578456
3-((Methylamino)methyl)pyrrolidin-3-ol
CID 14578457

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride (CID 126797033) is 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride is CN(C)CC1(O)CCNC1.Cl.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride?
The InChIKey is MHXCMTKUKPDZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.2ClH/c1-9(2)6-7(10)3-4-8-5-7;;/h8,10H,3-6H2,1-2H3;2*1H.
What are the key properties of 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride?
3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride has a molecular weight of 217.14 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 126797033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).