methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate

C13H26N2O2 — CID 83121631

IUPACmethyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate
SMILESCOC(=O)CCCNCC1(N(C)C)CCCC1
InChIInChI=1S/C13H26N2O2/c1-15(2)13(8-4-5-9-13)11-14-10-6-7-12(16)17-3/h14H,4-11H2,1-3H3
InChIKeyRXWOQDAQBLPVGO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate

methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate (PubChem CID 83121631) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate
PubChem CID83121631
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate
SMILESCOC(=O)CCCNCC1(N(C)C)CCCC1
InChIInChI=1S/C13H26N2O2/c1-15(2)13(8-4-5-9-13)11-14-10-6-7-12(16)17-3/h14H,4-11H2,1-3H3
InChIKeyRXWOQDAQBLPVGO-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate 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 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105416398
4-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylbutanamide
CID 105416919
5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
CID 103262326
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972
N,N-dimethyl-1-[(3-methylsulfanylpropylamino)methyl]cyclohexan-1-amine
CID 28622139
methyl 4-(ethylamino)butanoate;dihydrochloride
CID 174870876
1-[[2-(2-methoxyethoxy)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 112752546
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
3-[[1-(dimethylamino)cyclobutyl]methylamino]-N'-hydroxypropanimidamide
CID 105418384
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
methyl 2-bromo-3-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 103262330

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate?
The IUPAC name of methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate (CID 83121631) is methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate.
What is the SMILES notation for methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate?
The canonical SMILES for methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate is COC(=O)CCCNCC1(N(C)C)CCCC1.
What is the InChIKey of methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate?
The InChIKey is RXWOQDAQBLPVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(2)13(8-4-5-9-13)11-14-10-6-7-12(16)17-3/h14H,4-11H2,1-3H3.
What are the key properties of methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate?
methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate is sourced from PubChem (CID 83121631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).