2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide

C16H32N4O2 — CID 111842506

IUPAC2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCCN/C(=N\CC(=O)N(C)C)NC1CCCC1
InChIInChI=1S/C16H32N4O2/c1-4-22-12-8-7-11-17-16(18-13-15(21)20(2)3)19-14-9-5-6-10-14/h14H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeyJPGNUEVMUJUEDN-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.37
Rot. Bonds9

About 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111842506) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111842506
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCCN/C(=N\CC(=O)N(C)C)NC1CCCC1
InChIInChI=1S/C16H32N4O2/c1-4-22-12-8-7-11-17-16(18-13-15(21)20(2)3)19-14-9-5-6-10-14/h14H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeyJPGNUEVMUJUEDN-UHFFFAOYSA-N
XLogP1.37
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[[(cyclopentylamino)-(2-ethoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842470
2-[[(3-butoxypropylamino)-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111841524
2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111128977
2-[[(3-ethoxypropylamino)-[(4-ethylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039470
2-[[(cyclopentylamino)-(3-fluoropropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035895
2-[[(3-ethoxypropylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040388
2-[[(cyclopentylamino)-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033795
2-[[(cyclopentylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494906
2-[[(3-ethoxypropylamino)-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039156
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[(cyclopentylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035808
2-[[(cyclohexylamino)-[3-(2-phenylmethoxyethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110034221

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111842506) is 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide is CCOCCCCN/C(=N\CC(=O)N(C)C)NC1CCCC1.
What is the InChIKey of 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is JPGNUEVMUJUEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-4-22-12-8-7-11-17-16(18-13-15(21)20(2)3)19-14-9-5-6-10-14/h14H,4-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 312.46 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-(4-ethoxybutylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111842506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).