1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide

C12H23N3O2 — CID 55037720

IUPAC1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCCN(CC(=O)NC)C(=O)C1(CN)CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-15(8-10(16)14-2)11(17)12(9-13)6-4-5-7-12/h3-9,13H2,1-2H3,(H,14,16)
InChIKeyYCKJGBVKKXOPTB-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 55037720) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID55037720
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCCN(CC(=O)NC)C(=O)C1(CN)CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-15(8-10(16)14-2)11(17)12(9-13)6-4-5-7-12/h3-9,13H2,1-2H3,(H,14,16)
InChIKeyYCKJGBVKKXOPTB-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 55037720) is 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide is CCN(CC(=O)NC)C(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is YCKJGBVKKXOPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-15(8-10(16)14-2)11(17)12(9-13)6-4-5-7-12/h3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55037720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).