cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C12H23ClN2O — CID 119538344

IUPACcyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2CCCC2)C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-13-8-10-6-7-14(9-10)12(15)11-4-2-3-5-11;/h10-11,13H,2-9H2,1H3;1H
InChIKeyNPHOPVOAKPJKCJ-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.67
Rot. Bonds3

About cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119538344) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119538344
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Namecyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2CCCC2)C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-13-8-10-6-7-14(9-10)12(15)11-4-2-3-5-11;/h10-11,13H,2-9H2,1H3;1H
InChIKeyNPHOPVOAKPJKCJ-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540418
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563
2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide
CID 119541337
(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263642
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119540404
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119260605

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119538344) is cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)C2CCCC2)C1.Cl.
What is the InChIKey of cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is NPHOPVOAKPJKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-13-8-10-6-7-14(9-10)12(15)11-4-2-3-5-11;/h10-11,13H,2-9H2,1H3;1H.
What are the key properties of cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119538344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).