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

C7H16N2O — CID 14578459

IUPAC3-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1(O)CCNC1
InChIInChI=1S/C7H16N2O/c1-9(2)6-7(10)3-4-8-5-7/h8,10H,3-6H2,1-2H3
InChIKeyWWPGEZLKLDDXQP-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.73
Rot. Bonds2

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

3-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 14578459) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID14578459
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1(O)CCNC1
InChIInChI=1S/C7H16N2O/c1-9(2)6-7(10)3-4-8-5-7/h8,10H,3-6H2,1-2H3
InChIKeyWWPGEZLKLDDXQP-UHFFFAOYSA-N
XLogP-0.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.73
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-Ethylpyrrolidin-3-ol
CID 57601815
3-[(Dimethylamino)methyl]pyrrolidin-3-ol dihydrochloride
CID 126797033
4-Fluoro-3-methylpyrrolidin-3-ol
CID 144372192
3-((4-Methyl-1,4-diazepan-1-yl)methyl)pyrrolidin-3-ol
CID 66509758
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol
CID 103366498
1-[3-(Ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737798
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

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 14578459) is 3-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1(O)CCNC1.
What is the InChIKey of 3-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is WWPGEZLKLDDXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9(2)6-7(10)3-4-8-5-7/h8,10H,3-6H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]pyrrolidin-3-ol?
3-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 144.22 g/mol, XLogP of -0.73, 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 is sourced from PubChem (CID 14578459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).