[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone

C11H20N2O3 — CID 102783553

IUPAC[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESCC1CCN(C(=O)C2COCCO2)C1CN
InChIInChI=1S/C11H20N2O3/c1-8-2-3-13(9(8)6-12)11(14)10-7-15-4-5-16-10/h8-10H,2-7,12H2,1H3
InChIKeyZVZMSYYOVUWPGU-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.40
Rot. Bonds2

About [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone

[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone (PubChem CID 102783553) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
PubChem CID102783553
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESCC1CCN(C(=O)C2COCCO2)C1CN
InChIInChI=1S/C11H20N2O3/c1-8-2-3-13(9(8)6-12)11(14)10-7-15-4-5-16-10/h8-10H,2-7,12H2,1H3
InChIKeyZVZMSYYOVUWPGU-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 124779692
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 124592660
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 102737927
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
CID 102783465
2-[1-(1,4-dioxane-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899293
[2-(2-bromoethyl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 80665764
(4-bromo-2-methylpyrrolidin-1-yl)-(1,4-dioxan-2-yl)methanone
CID 131140665
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114802188
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 102783695
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3S)-oxan-3-yl]propan-1-one
CID 124691768

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone (CID 102783553) is [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone is CC1CCN(C(=O)C2COCCO2)C1CN.
What is the InChIKey of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone?
The InChIKey is ZVZMSYYOVUWPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-2-3-13(9(8)6-12)11(14)10-7-15-4-5-16-10/h8-10H,2-7,12H2,1H3.
What are the key properties of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone?
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 102783553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).