cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C13H24N2O — CID 63264265

IUPACcyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c1-14-9-11-7-8-15(10-11)13(16)12-5-3-2-4-6-12/h11-12,14H,2-10H2,1H3
InChIKeyJJIAEIRGQYVHGK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds3

About cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 63264265) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID63264265
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Namecyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H24N2O/c1-14-9-11-7-8-15(10-11)13(16)12-5-3-2-4-6-12/h11-12,14H,2-10H2,1H3
InChIKeyJJIAEIRGQYVHGK-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563
azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540418
2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide
CID 119541337
(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263642
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 63264265) is cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JJIAEIRGQYVHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-9-11-7-8-15(10-11)13(16)12-5-3-2-4-6-12/h11-12,14H,2-10H2,1H3.
What are the key properties of cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63264265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).