N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide

C16H33IN4O2 — CID 110034804

IUPACN,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NCCC1CCCCO1.I
InChIInChI=1S/C16H32N4O2.HI/c1-13(2)11-18-16(19-12-15(21)20(3)4)17-9-8-14-7-5-6-10-22-14;/h13-14H,5-12H2,1-4H3,(H2,17,18,19);1H
InChIKeyVBWHZKUHPIRBQP-UHFFFAOYSA-N
MW440.37 g/mol
LogP1.84
Rot. Bonds7

About N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 110034804) has the molecular formula C16H33IN4O2 and a molecular weight of 440.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID110034804
Molecular FormulaC16H33IN4O2
Molecular Weight440.37 g/mol
Exact Mass440.16
IUPAC NameN,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NCCC1CCCCO1.I
InChIInChI=1S/C16H32N4O2.HI/c1-13(2)11-18-16(19-12-15(21)20(3)4)17-9-8-14-7-5-6-10-22-14;/h13-14H,5-12H2,1-4H3,(H2,17,18,19);1H
InChIKeyVBWHZKUHPIRBQP-UHFFFAOYSA-N
XLogP1.84
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110034808
N,N-dimethyl-2-[[(2-methylpropylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 111777829
2-[[ethylamino-[2-(oxolan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365158
N,N-dimethyl-2-[[(2-methylpropylamino)-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111777667
N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide
CID 110035291
2-[[(cyclopentylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035808
2-[[[(1-ethylpyrrolidin-2-yl)methylamino]-[2-(oxan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033812
2-[[(butan-2-ylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110033853
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(oxan-2-yl)propylamino]methylidene]amino]acetamide;hydroiodide
CID 110036298
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(propylamino)methylidene]amino]acetamide
CID 111777536
2-[[(cyclohexylmethylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767470
2-[[(hexylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111897236

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide (CID 110034804) is N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide is CC(C)CN/C(=N\CC(=O)N(C)C)NCCC1CCCCO1.I.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is VBWHZKUHPIRBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2.HI/c1-13(2)11-18-16(19-12-15(21)20(3)4)17-9-8-14-7-5-6-10-22-14;/h13-14H,5-12H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 440.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110034804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).