[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone

C13H22N2O — CID 102783465

IUPAC[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
SMILESCC1CCN(C(=O)C2CC3CC3C2)C1CN
InChIInChI=1S/C13H22N2O/c1-8-2-3-15(12(8)7-14)13(16)11-5-9-4-10(9)6-11/h8-12H,2-7,14H2,1H3
InChIKeyLGLSCMBGISKTGD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.23
Rot. Bonds2

About [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone

[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone (PubChem CID 102783465) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
PubChem CID102783465
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
SMILESCC1CCN(C(=O)C2CC3CC3C2)C1CN
InChIInChI=1S/C13H22N2O/c1-8-2-3-15(12(8)7-14)13(16)11-5-9-4-10(9)6-11/h8-12H,2-7,14H2,1H3
InChIKeyLGLSCMBGISKTGD-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(thian-4-yl)methanone
CID 125147034
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103807145
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 124592788
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 119597339
[(1R,3R)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147082
[(1R,3S)-3-aminocyclohexyl]-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]methanone
CID 125147083
[2-(aminomethyl)-3-methylpiperidin-1-yl]-piperidin-4-ylmethanone
CID 119260965
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 102783695
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 102783553

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone?
The IUPAC name of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone (CID 102783465) is [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone?
The canonical SMILES for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone is CC1CCN(C(=O)C2CC3CC3C2)C1CN.
What is the InChIKey of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone?
The InChIKey is LGLSCMBGISKTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8-2-3-15(12(8)7-14)13(16)11-5-9-4-10(9)6-11/h8-12H,2-7,14H2,1H3.
What are the key properties of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone?
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone is sourced from PubChem (CID 102783465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).