1,2-diethylpyrrolidine;hydrochloride

C8H18ClN — CID 175060343

IUPAC1,2-diethylpyrrolidine;hydrochloride
SMILESCCC1CCCN1CC.Cl
InChIInChI=1S/C8H17N.ClH/c1-3-8-6-5-7-9(8)4-2;/h8H,3-7H2,1-2H3;1H
InChIKeyOHBNARBLORQEBK-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.30
Rot. Bonds2

About 1,2-diethylpyrrolidine;hydrochloride

1,2-diethylpyrrolidine;hydrochloride (PubChem CID 175060343) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 1,2-diethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name1,2-diethylpyrrolidine;hydrochloride
PubChem CID175060343
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name1,2-diethylpyrrolidine;hydrochloride
SMILESCCC1CCCN1CC.Cl
InChIInChI=1S/C8H17N.ClH/c1-3-8-6-5-7-9(8)4-2;/h8H,3-7H2,1-2H3;1H
InChIKeyOHBNARBLORQEBK-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diethylpiperidine
CID 19604037
azane;1,2-diethylazetidine;dihydrochloride
CID 175211859
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
1-(2-bromoethyl)-2-ethylpyrrolidine
CID 61288740
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine
CID 143922765

Frequently Asked Questions

What is the IUPAC name of 1,2-diethylpyrrolidine;hydrochloride?
The IUPAC name of 1,2-diethylpyrrolidine;hydrochloride (CID 175060343) is 1,2-diethylpyrrolidine;hydrochloride.
What is the SMILES notation for 1,2-diethylpyrrolidine;hydrochloride?
The canonical SMILES for 1,2-diethylpyrrolidine;hydrochloride is CCC1CCCN1CC.Cl.
What is the InChIKey of 1,2-diethylpyrrolidine;hydrochloride?
The InChIKey is OHBNARBLORQEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-3-8-6-5-7-9(8)4-2;/h8H,3-7H2,1-2H3;1H.
What are the key properties of 1,2-diethylpyrrolidine;hydrochloride?
1,2-diethylpyrrolidine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylpyrrolidine;hydrochloride is sourced from PubChem (CID 175060343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).