tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide

C16H33IN4O2 — CID 111085918

IUPACtert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide
SMILESCN(C)C(=NCC1CCCCN1C(=O)OC(C)(C)C)N(C)C.I
InChIInChI=1S/C16H32N4O2.HI/c1-16(2,3)22-15(21)20-11-9-8-10-13(20)12-17-14(18(4)5)19(6)7;/h13H,8-12H2,1-7H3;1H
InChIKeyGOSRQCDKZKVBIN-UHFFFAOYSA-N
MW440.37 g/mol
LogP2.87
Rot. Bonds2

About tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide

tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide (PubChem CID 111085918) has the molecular formula C16H33IN4O2 and a molecular weight of 440.37 g/mol. Its IUPAC name is tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide.

Molecular Properties

Compound Nametert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide
PubChem CID111085918
Molecular FormulaC16H33IN4O2
Molecular Weight440.37 g/mol
Exact Mass440.16
IUPAC Nametert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide
SMILESCN(C)C(=NCC1CCCCN1C(=O)OC(C)(C)C)N(C)C.I
InChIInChI=1S/C16H32N4O2.HI/c1-16(2,3)22-15(21)20-11-9-8-10-13(20)12-17-14(18(4)5)19(6)7;/h13H,8-12H2,1-7H3;1H
InChIKeyGOSRQCDKZKVBIN-UHFFFAOYSA-N
XLogP2.87
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
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

tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl 2-[[[amino(morpholin-4-yl)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111085898
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[[[amino(propylamino)methylidene]amino]methyl]piperidine-1-carboxylate
CID 111085901
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate
CID 111063022
tert-butyl 2-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylate
CID 11794333
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide?
The IUPAC name of tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide (CID 111085918) is tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide.
What is the SMILES notation for tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide?
The canonical SMILES for tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide is CN(C)C(=NCC1CCCCN1C(=O)OC(C)(C)C)N(C)C.I.
What is the InChIKey of tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide?
The InChIKey is GOSRQCDKZKVBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2.HI/c1-16(2,3)22-15(21)20-11-9-8-10-13(20)12-17-14(18(4)5)19(6)7;/h13H,8-12H2,1-7H3;1H.
What are the key properties of tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide?
tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide has a molecular weight of 440.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate;hydroiodide is sourced from PubChem (CID 111085918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).