2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide

C18H36N4O2 — CID 111576341

IUPAC2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NCCOC1CCCCCC1
InChIInChI=1S/C18H36N4O2/c1-4-5-12-19-18(21-15-17(23)22(2)3)20-13-14-24-16-10-8-6-7-9-11-16/h16H,4-15H2,1-3H3,(H2,19,20,21)
InChIKeyHSVLEFOZNKYYMA-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.15
Rot. Bonds9

About 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111576341) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111576341
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NCCOC1CCCCCC1
InChIInChI=1S/C18H36N4O2/c1-4-5-12-19-18(21-15-17(23)22(2)3)20-13-14-24-16-10-8-6-7-9-11-16/h16H,4-15H2,1-3H3,(H2,19,20,21)
InChIKeyHSVLEFOZNKYYMA-UHFFFAOYSA-N
XLogP2.15
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.15
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-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111576026
2-[[(2-cycloheptyloxyethylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111576474
2-[[(3-cyclohexyloxypropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751590
2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111128977
ethyl 4-[[N-(3-cyclohexyloxypropyl)-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111863029
2-[[(3-butoxypropylamino)-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111841524
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide
CID 111398237
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111398236
2-[[(cyclohexylmethylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491784
2-[[(hexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767530
2-[[(3-cyclohexyloxypropylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545914

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111576341) is 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide is CCCCN/C(=N\CC(=O)N(C)C)NCCOC1CCCCCC1.
What is the InChIKey of 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is HSVLEFOZNKYYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-4-5-12-19-18(21-15-17(23)22(2)3)20-13-14-24-16-10-8-6-7-9-11-16/h16H,4-15H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 340.51 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111576341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).