2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

C18H36N4O3 — CID 110033469

IUPAC2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCC1(CN/C(=N/CC(=O)N(C)C)NCCOC)CCCC1
InChIInChI=1S/C18H36N4O3/c1-5-25-12-10-18(8-6-7-9-18)15-21-17(19-11-13-24-4)20-14-16(23)22(2)3/h5-15H2,1-4H3,(H2,19,20,21)
InChIKeyZGXHNNPUZQUAJY-UHFFFAOYSA-N
MW356.51 g/mol
LogP1.24
Rot. Bonds11

About 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110033469) has the molecular formula C18H36N4O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110033469
Molecular FormulaC18H36N4O3
Molecular Weight356.51 g/mol
Exact Mass356.28
IUPAC Name2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCC1(CN/C(=N/CC(=O)N(C)C)NCCOC)CCCC1
InChIInChI=1S/C18H36N4O3/c1-5-25-12-10-18(8-6-7-9-18)15-21-17(19-11-13-24-4)20-14-16(23)22(2)3/h5-15H2,1-4H3,(H2,19,20,21)
InChIKeyZGXHNNPUZQUAJY-UHFFFAOYSA-N
XLogP1.24
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide 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

2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033468
2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034452
2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036857
2-[[(2-methoxyethylamino)-[(2-methylthiolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110046829
2-[[(cyclohexylamino)-[[1-(2-methoxyethyl)cyclobutyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035934
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
2-[[(2-methoxyethylamino)-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036815
2-[[[2-(4-chlorophenyl)sulfanylethylamino]-[[1-(2-methoxyethyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034502
2-[[(cyclohexylmethylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491784
2-[[(2-ethylbutylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111544775
2-[[(3-ethoxypropylamino)-[(2-methyloxolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045158
2-[[(2-methoxyethylamino)-[2-(3-methylbutoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111544849

Frequently Asked Questions

What is the IUPAC name of 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110033469) is 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is CCOCCC1(CN/C(=N/CC(=O)N(C)C)NCCOC)CCCC1.
What is the InChIKey of 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is ZGXHNNPUZQUAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O3/c1-5-25-12-10-18(8-6-7-9-18)15-21-17(19-11-13-24-4)20-14-16(23)22(2)3/h5-15H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 356.51 g/mol, XLogP of 1.24, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[1-(2-ethoxyethyl)cyclopentyl]methylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110033469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).