ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate

C13H26N2O2 — CID 83121065

IUPACethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
SMILESCCOC(=O)C(C)NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H26N2O2/c1-5-17-12(16)11(2)14-10-13(15(3)4)8-6-7-9-13/h11,14H,5-10H2,1-4H3
InChIKeyLPKCMUKBXPGWTD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate

ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate (PubChem CID 83121065) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
PubChem CID83121065
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
SMILESCCOC(=O)C(C)NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H26N2O2/c1-5-17-12(16)11(2)14-10-13(15(3)4)8-6-7-9-13/h11,14H,5-10H2,1-4H3
InChIKeyLPKCMUKBXPGWTD-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 83107449
2-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpropanamide
CID 105416686
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 83121707
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105415620
N-tert-butyl-2-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
CID 105416383
3-[[1-(dimethylamino)cyclopentyl]methylamino]butanoic acid
CID 83121061
methyl 2-bromo-3-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 103262330
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(furan-2-ylmethyl)propanamide
CID 78915193
ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate
CID 62518465
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate?
The IUPAC name of ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate (CID 83121065) is ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate.
What is the SMILES notation for ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate?
The canonical SMILES for ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate is CCOC(=O)C(C)NCC1(N(C)C)CCCC1.
What is the InChIKey of ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate?
The InChIKey is LPKCMUKBXPGWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-17-12(16)11(2)14-10-13(15(3)4)8-6-7-9-13/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate?
ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate is sourced from PubChem (CID 83121065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).