2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C20H40IN5O2 — CID 110035356

IUPAC2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)CC1(CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)CCCC1.I
InChIInChI=1S/C20H39N5O2.HI/c1-24(2)16-20(10-6-7-11-20)15-23-19(22-14-18(26)25(3)4)21-13-17-9-5-8-12-27-17;/h17H,5-16H2,1-4H3,(H2,21,22,23);1H
InChIKeyKDKIHTNCWPOUKE-UHFFFAOYSA-N
MW509.48 g/mol
LogP1.92
Rot. Bonds8

About 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110035356) has the molecular formula C20H40IN5O2 and a molecular weight of 509.48 g/mol. Its IUPAC name is 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110035356
Molecular FormulaC20H40IN5O2
Molecular Weight509.48 g/mol
Exact Mass509.22
IUPAC Name2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCN(C)CC1(CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)CCCC1.I
InChIInChI=1S/C20H39N5O2.HI/c1-24(2)16-20(10-6-7-11-20)15-23-19(22-14-18(26)25(3)4)21-13-17-9-5-8-12-27-17;/h17H,5-16H2,1-4H3,(H2,21,22,23);1H
InChIKeyKDKIHTNCWPOUKE-UHFFFAOYSA-N
XLogP1.92
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.48
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[[[1-(2-methylpropyl)cyclobutyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110046158
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-[[(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-[[(2-methylpropylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 111777829
N,N-dimethyl-2-[[[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110035184
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(prop-2-ynylamino)methylidene]amino]acetamide;hydroiodide
CID 119141513
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110037263
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(1,4,8-trioxaspiro[4.5]decan-3-ylmethylamino)methylidene]amino]acetamide
CID 110036111
2-[[(cyclopentylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111495888
2-[[(cyclopent-3-en-1-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047195

Frequently Asked Questions

What is the IUPAC name of 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110035356) is 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CN(C)CC1(CN/C(=N\CC(=O)N(C)C)NCC2CCCCO2)CCCC1.I.
What is the InChIKey of 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is KDKIHTNCWPOUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O2.HI/c1-24(2)16-20(10-6-7-11-20)15-23-19(22-14-18(26)25(3)4)21-13-17-9-5-8-12-27-17;/h17H,5-16H2,1-4H3,(H2,21,22,23);1H.
What are the key properties of 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 509.48 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110035356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).