N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide

C18H36N4O2 — CID 111905753

IUPACN,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
SMILESCCCCCCC(C)N/C(=N\CC(=O)N(C)C)NCC1CCOC1
InChIInChI=1S/C18H36N4O2/c1-5-6-7-8-9-15(2)21-18(20-13-17(23)22(3)4)19-12-16-10-11-24-14-16/h15-16H,5-14H2,1-4H3,(H2,19,20,21)
InChIKeyCYSPTYRNCWUJAB-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.01
Rot. Bonds10

About N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide (PubChem CID 111905753) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
PubChem CID111905753
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC NameN,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
SMILESCCCCCCC(C)N/C(=N\CC(=O)N(C)C)NCC1CCOC1
InChIInChI=1S/C18H36N4O2/c1-5-6-7-8-9-15(2)21-18(20-13-17(23)22(3)4)19-12-16-10-11-24-14-16/h15-16H,5-14H2,1-4H3,(H2,19,20,21)
InChIKeyCYSPTYRNCWUJAB-UHFFFAOYSA-N
XLogP2.01
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.01
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-[[(4-cyclohexylbutan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043696
2-[[(1-methoxypropan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906862
2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111212987
2-[[butylamino-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110044697
2-[[(heptan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769420
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906924
2-[[[(4,4-dimethylcyclohexyl)methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036538
N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclopentyl]methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110045103
2-[[(2-methoxyethylamino)-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111541180
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111654805
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111907282
2-[[(heptan-2-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111195440

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide (CID 111905753) is N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide is CCCCCCC(C)N/C(=N\CC(=O)N(C)C)NCC1CCOC1.
What is the InChIKey of N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
The InChIKey is CYSPTYRNCWUJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-5-6-7-8-9-15(2)21-18(20-13-17(23)22(3)4)19-12-16-10-11-24-14-16/h15-16H,5-14H2,1-4H3,(H2,19,20,21).
What are the key properties of N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide has a molecular weight of 340.51 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(octan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111905753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).