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

C19H40N4O2 — CID 111363857

IUPAC2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCC(CC)CN/C(=N/CC(=O)N(C)C)NCCCCOCC
InChIInChI=1S/C19H40N4O2/c1-6-9-12-17(7-2)15-21-19(22-16-18(24)23(4)5)20-13-10-11-14-25-8-3/h17H,6-16H2,1-5H3,(H2,20,21,22)
InChIKeyQVHAGMINZILKJL-UHFFFAOYSA-N
MW356.56 g/mol
LogP2.64
Rot. Bonds14

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

2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111363857) has the molecular formula C19H40N4O2 and a molecular weight of 356.56 g/mol. Its IUPAC name is 2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111363857
Molecular FormulaC19H40N4O2
Molecular Weight356.56 g/mol
Exact Mass356.32
IUPAC Name2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCC(CC)CN/C(=N/CC(=O)N(C)C)NCCCCOCC
InChIInChI=1S/C19H40N4O2/c1-6-9-12-17(7-2)15-21-19(22-16-18(24)23(4)5)20-13-10-11-14-25-8-3/h17H,6-16H2,1-5H3,(H2,20,21,22)
InChIKeyQVHAGMINZILKJL-UHFFFAOYSA-N
XLogP2.64
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.64
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-ethylhexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111227438
2-[[(2-ethylhexylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110941869
2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111178126
2-[[(3-ethoxypropylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110978831
2-[[(2-ethylhexylamino)-(3-pyrazol-1-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365194
2-[[(2-ethylbutylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111544775
2-[[(2-ethylhexylamino)-[3-(triazol-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110035279
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
2-[[(2-ethylhexylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111354972
2-[[(2-ethylhexylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364314
2-[[(butan-2-ylamino)-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110945426
tert-butyl N-[2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(3-ethoxypropyl)carbamimidoyl]amino]hexyl]carbamate
CID 110046771

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111363857) is 2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide is CCCCC(CC)CN/C(=N/CC(=O)N(C)C)NCCCCOCC.
What is the InChIKey of 2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is QVHAGMINZILKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O2/c1-6-9-12-17(7-2)15-21-19(22-16-18(24)23(4)5)20-13-10-11-14-25-8-3/h17H,6-16H2,1-5H3,(H2,20,21,22).
What are the key properties of 2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 356.56 g/mol, XLogP of 2.64, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111363857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).