1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride

C17H27Cl2N3O — CID 67378904

IUPAC1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride
SMILESCN(C)C1CCN(C(=O)CNC2CC2c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-19(2)14-8-9-20(12-14)17(21)11-18-16-10-15(16)13-6-4-3-5-7-13;;/h3-7,14-16,18H,8-12H2,1-2H3;2*1H
InChIKeyXFUIAOKRSBDONB-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.14
Rot. Bonds5

About 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride

1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride (PubChem CID 67378904) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride
PubChem CID67378904
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride
SMILESCN(C)C1CCN(C(=O)CNC2CC2c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-19(2)14-8-9-20(12-14)17(21)11-18-16-10-15(16)13-6-4-3-5-7-13;;/h3-7,14-16,18H,8-12H2,1-2H3;2*1H
InChIKeyXFUIAOKRSBDONB-UHFFFAOYSA-N
XLogP2.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride with MolForge

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[(2-phenylcyclopropyl)amino]ethanone
CID 66978917
2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 66978926
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
1-(4-methylpiperazin-1-yl)-2-[[(1S)-2-[4-(2-phenylethyl)phenyl]cyclopropyl]amino]ethanone;dihydrochloride
CID 71811172
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
1-(4-methylpiperazin-1-yl)-2-[[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino]ethanone
CID 154002845
2-[[(1S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 58486500
2-[[2-(4-cyclopropylphenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 56960901
2-(N-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]anilino)acetaldehyde
CID 59664797
methyl 4-[[4-[2-[(2-phenylcyclopropyl)amino]acetyl]piperazin-1-yl]methyl]benzoate
CID 153322681
1-(4-methylpiperazin-1-yl)-2-[[2-[4-(2-phenylethoxy)phenyl]cyclopropyl]amino]ethanone
CID 66978908
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride (CID 67378904) is 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride is CN(C)C1CCN(C(=O)CNC2CC2c2ccccc2)C1.Cl.Cl.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride?
The InChIKey is XFUIAOKRSBDONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c1-19(2)14-8-9-20(12-14)17(21)11-18-16-10-15(16)13-6-4-3-5-7-13;;/h3-7,14-16,18H,8-12H2,1-2H3;2*1H.
What are the key properties of 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride?
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[(2-phenylcyclopropyl)amino]ethanone;dihydrochloride is sourced from PubChem (CID 67378904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).