tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide

C15H33IN4O2 — CID 109377978

IUPACtert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide
SMILESCCCN(CCN=C(N(C)C)N(C)C)C(=O)OC(C)(C)C.I
InChIInChI=1S/C15H32N4O2.HI/c1-9-11-19(14(20)21-15(2,3)4)12-10-16-13(17(5)6)18(7)8;/h9-12H2,1-8H3;1H
InChIKeyGFTYTALWVGEZMV-UHFFFAOYSA-N
MW428.36 g/mol
LogP2.73
Rot. Bonds5

About tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide

tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide (PubChem CID 109377978) has the molecular formula C15H33IN4O2 and a molecular weight of 428.36 g/mol. Its IUPAC name is tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide.

Molecular Properties

Compound Nametert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide
PubChem CID109377978
Molecular FormulaC15H33IN4O2
Molecular Weight428.36 g/mol
Exact Mass428.16
IUPAC Nametert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide
SMILESCCCN(CCN=C(N(C)C)N(C)C)C(=O)OC(C)(C)C.I
InChIInChI=1S/C15H32N4O2.HI/c1-9-11-19(14(20)21-15(2,3)4)12-10-16-13(17(5)6)18(7)8;/h9-12H2,1-8H3;1H
InChIKeyGFTYTALWVGEZMV-UHFFFAOYSA-N
XLogP2.73
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 52.73
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 N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl N-[2-[[amino(thiomorpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate
CID 109377923
tert-butyl N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109377950
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-[2-[[[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-N-propylcarbamate
CID 109395249
tert-butyl N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109391805
tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate
CID 109391676
tert-butyl N-[2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109391477
tert-butyl N-(5-oxoheptyl)-N-propylcarbamate
CID 89128098
tert-butyl N-[2-(2,2-dimethylpropylamino)ethyl]-N-propylcarbamate
CID 103846720
tert-butyl N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-N-propylcarbamate
CID 109377416
tert-butyl N-[4-[bis(dimethylamino)methylideneamino]butyl]carbamate;hydroiodide
CID 110027000

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide?
The IUPAC name of tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide (CID 109377978) is tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide.
What is the SMILES notation for tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide?
The canonical SMILES for tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide is CCCN(CCN=C(N(C)C)N(C)C)C(=O)OC(C)(C)C.I.
What is the InChIKey of tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide?
The InChIKey is GFTYTALWVGEZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2.HI/c1-9-11-19(14(20)21-15(2,3)4)12-10-16-13(17(5)6)18(7)8;/h9-12H2,1-8H3;1H.
What are the key properties of tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide?
tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide has a molecular weight of 428.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[bis(dimethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide is sourced from PubChem (CID 109377978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).