2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide

C12H23N3O — CID 102785072

IUPAC2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC1CCN(CC(=O)N(C)C2CC2)C1CN
InChIInChI=1S/C12H23N3O/c1-9-5-6-15(11(9)7-13)8-12(16)14(2)10-3-4-10/h9-11H,3-8,13H2,1-2H3
InChIKeyBXGPTZIKXBWUPW-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.28
Rot. Bonds4

About 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide

2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 102785072) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID102785072
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCC1CCN(CC(=O)N(C)C2CC2)C1CN
InChIInChI=1S/C12H23N3O/c1-9-5-6-15(11(9)7-13)8-12(16)14(2)10-3-4-10/h9-11H,3-8,13H2,1-2H3
InChIKeyBXGPTZIKXBWUPW-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63839894
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 81493466
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 102784643
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 115486348
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
CID 119916251
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119926165
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 103441770
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
2-(3-aminoazetidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 63760735
1-[2-(dimethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786056
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide (CID 102785072) is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide is CC1CCN(CC(=O)N(C)C2CC2)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is BXGPTZIKXBWUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-5-6-15(11(9)7-13)8-12(16)14(2)10-3-4-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide?
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 102785072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).