[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone

C12H22N2O2 — CID 115491882

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone
SMILESCC1CC(CN)CN1C(=O)C1CCCCO1
InChIInChI=1S/C12H22N2O2/c1-9-6-10(7-13)8-14(9)12(15)11-4-2-3-5-16-11/h9-11H,2-8,13H2,1H3
InChIKeyPYPIEYYIMJOQCR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds2

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone (PubChem CID 115491882) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone
PubChem CID115491882
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone
SMILESCC1CC(CN)CN1C(=O)C1CCCCO1
InChIInChI=1S/C12H22N2O2/c1-9-6-10(7-13)8-14(9)12(15)11-4-2-3-5-16-11/h9-11H,2-8,13H2,1H3
InChIKeyPYPIEYYIMJOQCR-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

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856469
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 80505057
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
[(2R)-2,4-dimethylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 170205931
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(azetidin-3-yl)methanone;hydrochloride
CID 130762786
1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]but-2-yn-1-one
CID 107990772
2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 106742253
[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]-(oxan-2-yl)methanone
CID 146075874
(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 103575844
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 120794622

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone (CID 115491882) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone is CC1CC(CN)CN1C(=O)C1CCCCO1.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone?
The InChIKey is PYPIEYYIMJOQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-6-10(7-13)8-14(9)12(15)11-4-2-3-5-16-11/h9-11H,2-8,13H2,1H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-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 [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 115491882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).