3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride

C9H21ClN2O — CID 46941652

IUPAC3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
SMILESCCN(CC)CC1(O)CCNC1.Cl
InChIInChI=1S/C9H20N2O.ClH/c1-3-11(4-2)8-9(12)5-6-10-7-9;/h10,12H,3-8H2,1-2H3;1H
InChIKeyCQQXTRNHVKXTKQ-UHFFFAOYSA-N
MW208.73 g/mol
LogP0.47
Rot. Bonds4

About 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride

3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 46941652) has the molecular formula C9H21ClN2O and a molecular weight of 208.73 g/mol. Its IUPAC name is 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID46941652
Molecular FormulaC9H21ClN2O
Molecular Weight208.73 g/mol
Exact Mass208.13
IUPAC Name3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
SMILESCCN(CC)CC1(O)CCNC1.Cl
InChIInChI=1S/C9H20N2O.ClH/c1-3-11(4-2)8-9(12)5-6-10-7-9;/h10,12H,3-8H2,1-2H3;1H
InChIKeyCQQXTRNHVKXTKQ-UHFFFAOYSA-N
XLogP0.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride (CID 46941652) is 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride is CCN(CC)CC1(O)CCNC1.Cl.
What is the InChIKey of 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is CQQXTRNHVKXTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.ClH/c1-3-11(4-2)8-9(12)5-6-10-7-9;/h10,12H,3-8H2,1-2H3;1H.
What are the key properties of 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride?
3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 208.73 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 46941652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).