2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide

C12H26N4O — CID 111492032

IUPAC2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC(C)CC
InChIInChI=1S/C12H26N4O/c1-6-8-13-12(15-10(3)7-2)14-9-11(17)16(4)5/h10H,6-9H2,1-5H3,(H2,13,14,15)
InChIKeyJQADBAULDAKUSB-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.82
Rot. Bonds6

About 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111492032) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111492032
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC(C)CC
InChIInChI=1S/C12H26N4O/c1-6-8-13-12(15-10(3)7-2)14-9-11(17)16(4)5/h10H,6-9H2,1-5H3,(H2,13,14,15)
InChIKeyJQADBAULDAKUSB-UHFFFAOYSA-N
XLogP0.82
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(butan-2-ylamino)-(hexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545319
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
CID 110037267
N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
2-[[(heptan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769420
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110037266
2-[[(butan-2-ylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111491785
2-[[(butan-2-ylamino)-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110945426
2-[[(butan-2-ylamino)-(2-ethylbutylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545282
2-[[(butan-2-ylamino)-[2-(3-methylbutoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545358
2-[[(butan-2-ylamino)-[3-(2-methylpropoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545296
N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
CID 111492430
2-[[(butan-2-ylamino)-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111545161

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111492032) is 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide is CCCN/C(=N\CC(=O)N(C)C)NC(C)CC.
What is the InChIKey of 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is JQADBAULDAKUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-6-8-13-12(15-10(3)7-2)14-9-11(17)16(4)5/h10H,6-9H2,1-5H3,(H2,13,14,15).
What are the key properties of 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 242.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111492032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).