7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C14H25N3O — CID 81465332

IUPAC7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)C2CC3CCC2N3)CC1N(C)C
InChIInChI=1S/C14H25N3O/c1-9-7-17(8-13(9)16(2)3)14(18)11-6-10-4-5-12(11)15-10/h9-13,15H,4-8H2,1-3H3
InChIKeyVTSSHKIMJFIRPX-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.54
Rot. Bonds2

About 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81465332) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81465332
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)C2CC3CCC2N3)CC1N(C)C
InChIInChI=1S/C14H25N3O/c1-9-7-17(8-13(9)16(2)3)14(18)11-6-10-4-5-12(11)15-10/h9-13,15H,4-8H2,1-3H3
InChIKeyVTSSHKIMJFIRPX-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464588
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81451690
(3-aminocyclopentyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464820
7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170538
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 81474906
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689
(3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 96512803
7-azabicyclo[2.2.1]heptan-2-yl-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114459904
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 81465071
4-[7-azabicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236007
7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone
CID 112701878
4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66074655

Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81465332) is 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CC1CN(C(=O)C2CC3CCC2N3)CC1N(C)C.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is VTSSHKIMJFIRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9-7-17(8-13(9)16(2)3)14(18)11-6-10-4-5-12(11)15-10/h9-13,15H,4-8H2,1-3H3.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 251.37 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81465332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).