2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

C15H32N4O — CID 111212987

IUPAC2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCCCC(C)N/C(=N/CC(=O)N(C)C)NCC
InChIInChI=1S/C15H32N4O/c1-6-8-9-10-11-13(3)18-15(16-7-2)17-12-14(20)19(4)5/h13H,6-12H2,1-5H3,(H2,16,17,18)
InChIKeyDQRBQYUYULCNJL-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.99
Rot. Bonds9

About 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111212987) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111212987
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCCCC(C)N/C(=N/CC(=O)N(C)C)NCC
InChIInChI=1S/C15H32N4O/c1-6-8-9-10-11-13(3)18-15(16-7-2)17-12-14(20)19(4)5/h13H,6-12H2,1-5H3,(H2,16,17,18)
InChIKeyDQRBQYUYULCNJL-UHFFFAOYSA-N
XLogP1.99
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[(heptan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769420
2-[[(2-methoxyethylamino)-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111541180
2-[[(heptan-2-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111195440
2-[[(heptan-2-ylamino)-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111195585
2-[[(butan-2-ylamino)-(hexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545319
2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N-propylacetamide
CID 111212817
N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 111905753
2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492032
2-[[(4-cyclohexylbutan-2-ylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109482625
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
CID 110037267
2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111195844

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111212987) is 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is CCCCCCC(C)N/C(=N/CC(=O)N(C)C)NCC.
What is the InChIKey of 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is DQRBQYUYULCNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-6-8-9-10-11-13(3)18-15(16-7-2)17-12-14(20)19(4)5/h13H,6-12H2,1-5H3,(H2,16,17,18).
What are the key properties of 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 284.45 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111212987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).