N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide

C20H39IN4O2 — CID 110046158

IUPACN,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCC(C)CC1(CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)CCC1.I
InChIInChI=1S/C20H38N4O2.HI/c1-16(2)12-20(9-7-10-20)15-23-19(22-14-18(25)24(3)4)21-13-17-8-5-6-11-26-17;/h16-17H,5-15H2,1-4H3,(H2,21,22,23);1H
InChIKeySSPJYSDNZBVTSH-UHFFFAOYSA-N
MW494.46 g/mol
LogP3.01
Rot. Bonds8

About N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide

N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide (PubChem CID 110046158) has the molecular formula C20H39IN4O2 and a molecular weight of 494.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
PubChem CID110046158
Molecular FormulaC20H39IN4O2
Molecular Weight494.46 g/mol
Exact Mass494.21
IUPAC NameN,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
SMILESCC(C)CC1(CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)CCC1.I
InChIInChI=1S/C20H38N4O2.HI/c1-16(2)12-20(9-7-10-20)15-23-19(22-14-18(25)24(3)4)21-13-17-8-5-6-11-26-17;/h16-17H,5-15H2,1-4H3,(H2,21,22,23);1H
InChIKeySSPJYSDNZBVTSH-UHFFFAOYSA-N
XLogP3.01
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 53.01
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

2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035356
N,N-dimethyl-2-[[(2-methylpropylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 111777829
N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclopentyl]methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110045103
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 110034356
N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110034808
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110037263
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(propylamino)methylidene]amino]acetamide
CID 111777536
2-[[(hexylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111897236
N,N-dimethyl-2-[[[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110035184
2-[[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035902
2-[[(1-methoxypropan-2-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111906865
N,N-dimethyl-2-[[(6-methylheptan-2-ylamino)-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111540006

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide (CID 110046158) is N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide is CC(C)CC1(CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)CCC1.I.
What is the InChIKey of N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide?
The InChIKey is SSPJYSDNZBVTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2.HI/c1-16(2)12-20(9-7-10-20)15-23-19(22-14-18(25)24(3)4)21-13-17-8-5-6-11-26-17;/h16-17H,5-15H2,1-4H3,(H2,21,22,23);1H.
What are the key properties of N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide?
N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide has a molecular weight of 494.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 110046158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).