tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide

C12H27IN4O2 — CID 75482254

IUPACtert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide
SMILESCCN/C(=N/CCNC(=O)OC(C)(C)C)N(C)C.I
InChIInChI=1S/C12H26N4O2.HI/c1-7-13-10(16(5)6)14-8-9-15-11(17)18-12(2,3)4;/h7-9H2,1-6H3,(H,13,14)(H,15,17);1H
InChIKeyRHBWIOAAFYNFIQ-UHFFFAOYSA-N
MW386.28 g/mol
LogP1.66
Rot. Bonds4

About tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide

tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide (PubChem CID 75482254) has the molecular formula C12H27IN4O2 and a molecular weight of 386.28 g/mol. Its IUPAC name is tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide.

Molecular Properties

Compound Nametert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide
PubChem CID75482254
Molecular FormulaC12H27IN4O2
Molecular Weight386.28 g/mol
Exact Mass386.12
IUPAC Nametert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide
SMILESCCN/C(=N/CCNC(=O)OC(C)(C)C)N(C)C.I
InChIInChI=1S/C12H26N4O2.HI/c1-7-13-10(16(5)6)14-8-9-15-11(17)18-12(2,3)4;/h7-9H2,1-6H3,(H,13,14)(H,15,17);1H
InChIKeyRHBWIOAAFYNFIQ-UHFFFAOYSA-N
XLogP1.66
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide?
The IUPAC name of tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide (CID 75482254) is tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide.
What is the SMILES notation for tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide?
The canonical SMILES for tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide is CCN/C(=N/CCNC(=O)OC(C)(C)C)N(C)C.I.
What is the InChIKey of tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide?
The InChIKey is RHBWIOAAFYNFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2.HI/c1-7-13-10(16(5)6)14-8-9-15-11(17)18-12(2,3)4;/h7-9H2,1-6H3,(H,13,14)(H,15,17);1H.
What are the key properties of tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide?
tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide has a molecular weight of 386.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[dimethylamino(ethylamino)methylidene]amino]ethyl]carbamate;hydroiodide is sourced from PubChem (CID 75482254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).