2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide

C14H30N4O2 — CID 111178126

IUPAC2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)NCC(C)C
InChIInChI=1S/C14H30N4O2/c1-6-20-9-7-8-15-14(16-10-12(2)3)17-11-13(19)18(4)5/h12H,6-11H2,1-5H3,(H2,15,16,17)
InChIKeyWCHMJKSFNABSCE-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.69
Rot. Bonds9

About 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111178126) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111178126
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)NCC(C)C
InChIInChI=1S/C14H30N4O2/c1-6-20-9-7-8-15-14(16-10-12(2)3)17-11-13(19)18(4)5/h12H,6-11H2,1-5H3,(H2,15,16,17)
InChIKeyWCHMJKSFNABSCE-UHFFFAOYSA-N
XLogP0.69
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.69
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-[[(3-ethoxypropylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110978831
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111247906
N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide
CID 110034777
2-[[(butan-2-ylamino)-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110945426
N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide
CID 111494828
N,N-dimethyl-2-[[(2-methylpropylamino)-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111777667
2-[[(4-ethoxybutylamino)-(2-ethylhexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111363857
2-[[(3-ethoxypropylamino)-(2-phenylsulfanylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111496187
N,N-dimethyl-2-[[(2-methylpropylamino)-(6-methylsulfanylhexylamino)methylidene]amino]acetamide
CID 110033867
2-[[(3-ethoxypropylamino)-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111517320
2-[[(3-ethoxypropylamino)-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111607598

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111178126) is 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide is CCOCCCN/C(=N\CC(=O)N(C)C)NCC(C)C.
What is the InChIKey of 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is WCHMJKSFNABSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-6-20-9-7-8-15-14(16-10-12(2)3)17-11-13(19)18(4)5/h12H,6-11H2,1-5H3,(H2,15,16,17).
What are the key properties of 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 286.42 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111178126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).