(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone

C12H22N2O2 — CID 103532843

IUPAC(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C12H22N2O2/c1-16-11-5-6-14(8-11)12(15)9-3-2-4-10(13)7-9/h9-11H,2-8,13H2,1H3
InChIKeyBXXVJSNIMRNFMV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds2

About (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone

(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 103532843) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID103532843
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C12H22N2O2/c1-16-11-5-6-14(8-11)12(15)9-3-2-4-10(13)7-9/h9-11H,2-8,13H2,1H3
InChIKeyBXXVJSNIMRNFMV-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
CID 55147306
(9-amino-3-bicyclo[3.3.1]nonanyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 120991765
(3-aminocyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 55135879
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
(3-aminocyclobutyl)-(3-methoxyazetidin-1-yl)methanone
CID 164660908
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
[(1S,3R)-3-aminocyclohexyl]-[(3S)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 124688925
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 95788654

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone (CID 103532843) is (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)C2CCCC(N)C2)C1.
What is the InChIKey of (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is BXXVJSNIMRNFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-11-5-6-14(8-11)12(15)9-3-2-4-10(13)7-9/h9-11H,2-8,13H2,1H3.
What are the key properties of (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone?
(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103532843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).