tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate

C20H31N5O2 — CID 86621015

IUPACtert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate
SMILESCCCC/C=C/c1cnc2ccc(NCCCNC(=O)OC(C)(C)C)nn12
InChIInChI=1S/C20H31N5O2/c1-5-6-7-8-10-16-15-23-18-12-11-17(24-25(16)18)21-13-9-14-22-19(26)27-20(2,3)4/h8,10-12,15H,5-7,9,13-14H2,1-4H3,(H,21,24)(H,22,26)/b10-8+
InChIKeyCGZGZHIQFNJVGT-CSKARUKUSA-N
MW373.50 g/mol
LogP4.26
Rot. Bonds9

About tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate

tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate (PubChem CID 86621015) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate
PubChem CID86621015
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Nametert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate
SMILESCCCC/C=C/c1cnc2ccc(NCCCNC(=O)OC(C)(C)C)nn12
InChIInChI=1S/C20H31N5O2/c1-5-6-7-8-10-16-15-23-18-12-11-17(24-25(16)18)21-13-9-14-22-19(26)27-20(2,3)4/h8,10-12,15H,5-7,9,13-14H2,1-4H3,(H,21,24)(H,22,26)/b10-8+
InChIKeyCGZGZHIQFNJVGT-CSKARUKUSA-N
XLogP4.26
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
CID 19854428
benzyl N-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)but-3-enyl]carbamate
CID 170494259
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate
CID 101236450
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715
tert-butyl N-[3-[(6-fluoro-3-pyridinyl)amino]propyl]carbamate
CID 107095376
tert-butyl N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170809816
N-[3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enyl]acetamide
CID 169465667
4-[6-(butylamino)imidazo[1,2-b]pyridazin-3-yl]-3-fluorobenzaldehyde
CID 86696346
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[3-[(5-iodopyrimidin-2-yl)amino]propyl]carbamate
CID 104843546
tert-butyl N-[(E,2S)-5-imidazo[1,2-b]pyridazin-3-ylpent-4-en-2-yl]carbamate
CID 178023884

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate (CID 86621015) is tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate is CCCC/C=C/c1cnc2ccc(NCCCNC(=O)OC(C)(C)C)nn12.
What is the InChIKey of tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate?
The InChIKey is CGZGZHIQFNJVGT-CSKARUKUSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-5-6-7-8-10-16-15-23-18-12-11-17(24-25(16)18)21-13-9-14-22-19(26)27-20(2,3)4/h8,10-12,15H,5-7,9,13-14H2,1-4H3,(H,21,24)(H,22,26)/b10-8+.
What are the key properties of tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate?
tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate has a molecular weight of 373.50 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate is sourced from PubChem (CID 86621015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).