2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide

C17H34N4O2 — CID 110033853

IUPAC2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NCCCC1CCCCO1
InChIInChI=1S/C17H34N4O2/c1-5-14(2)20-17(19-13-16(22)21(3)4)18-11-8-10-15-9-6-7-12-23-15/h14-15H,5-13H2,1-4H3,(H2,18,19,20)
InChIKeyCCUQVGXYJIDPCR-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.76
Rot. Bonds8

About 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110033853) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110033853
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NCCCC1CCCCO1
InChIInChI=1S/C17H34N4O2/c1-5-14(2)20-17(19-13-16(22)21(3)4)18-11-8-10-15-9-6-7-12-23-15/h14-15H,5-13H2,1-4H3,(H2,18,19,20)
InChIKeyCCUQVGXYJIDPCR-UHFFFAOYSA-N
XLogP1.76
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.76
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-[[(butan-2-ylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492222
2-[[(cyclopentylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035808
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide
CID 110036298
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110037263
N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110034804
2-[[(1-methoxypropan-2-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111906865
N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110034808
2-[[(butan-2-ylamino)-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110945426
2-[[(butan-2-ylamino)-(hexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545319
2-[[(hexylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111897236
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(propylamino)methylidene]amino]acetamide
CID 111777536
2-[[ethylamino-[2-(oxolan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365158

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide (CID 110033853) is 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide is CCC(C)N/C(=N\CC(=O)N(C)C)NCCCC1CCCCO1.
What is the InChIKey of 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is CCUQVGXYJIDPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-5-14(2)20-17(19-13-16(22)21(3)4)18-11-8-10-15-9-6-7-12-23-15/h14-15H,5-13H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 326.49 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110033853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).