3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride

C13H26ClN3O2 — CID 120772197

IUPAC3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCC1(CN)CCN(CCC(=O)N2CCOCC2)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(10-14)3-5-15(11-13)4-2-12(17)16-6-8-18-9-7-16;/h2-11,14H2,1H3;1H
InChIKeyQAHMZNQIMYVRKK-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.33
Rot. Bonds4

About 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 120772197) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID120772197
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCC1(CN)CCN(CCC(=O)N2CCOCC2)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(10-14)3-5-15(11-13)4-2-12(17)16-6-8-18-9-7-16;/h2-11,14H2,1H3;1H
InChIKeyQAHMZNQIMYVRKK-UHFFFAOYSA-N
XLogP0.33
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773647
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 120772020
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]propanamide
CID 107160625
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride
CID 120772694
3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981416
3-(3-methyl-3-propylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981801
3-(3-ethyl-3-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981754
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
CID 120772509
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-[4-(azepane-1-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 120772053

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride (CID 120772197) is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride is CC1(CN)CCN(CCC(=O)N2CCOCC2)C1.Cl.
What is the InChIKey of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is QAHMZNQIMYVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-13(10-14)3-5-15(11-13)4-2-12(17)16-6-8-18-9-7-16;/h2-11,14H2,1H3;1H.
What are the key properties of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120772197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).