[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride

C12H27Cl2N3O — CID 120773647

IUPAC[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCC1(CN)CCN(CCN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-12(10-13)2-3-15(11-12)5-4-14-6-8-16-9-7-14;;/h2-11,13H2,1H3;2*1H
InChIKeyQPZQWKXILIOSIS-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.83
Rot. Bonds4

About [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride

[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride (PubChem CID 120773647) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
PubChem CID120773647
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
SMILESCC1(CN)CCN(CCN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-12(10-13)2-3-15(11-12)5-4-14-6-8-16-9-7-14;;/h2-11,13H2,1H3;2*1H
InChIKeyQPZQWKXILIOSIS-UHFFFAOYSA-N
XLogP0.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120772197
3-(aminomethyl)-N,N-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-amine
CID 117012445
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120772406
[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120773462
4-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]morpholine
CID 117007578
[3-methyl-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine
CID 120773709
[3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol
CID 117012285
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772336
[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120771836
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride (CID 120773647) is [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride is CC1(CN)CCN(CCN2CCOCC2)C1.Cl.Cl.
What is the InChIKey of [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride?
The InChIKey is QPZQWKXILIOSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-12(10-13)2-3-15(11-12)5-4-14-6-8-16-9-7-14;;/h2-11,13H2,1H3;2*1H.
What are the key properties of [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride?
[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 120773647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).