3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride

C20H32ClN5O — CID 68648280

IUPAC3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
SMILESCCCCCC=Cc1cnc2ccc(NCCCN3CCOCC3)nn12.Cl
InChIInChI=1S/C20H31N5O.ClH/c1-2-3-4-5-6-8-18-17-22-20-10-9-19(23-25(18)20)21-11-7-12-24-13-15-26-16-14-24;/h6,8-10,17H,2-5,7,11-16H2,1H3,(H,21,23);1H
InChIKeyCLEAQDGELIWAHF-UHFFFAOYSA-N
MW393.96 g/mol
LogP3.88
Rot. Bonds10

About 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride

3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride (PubChem CID 68648280) has the molecular formula C20H32ClN5O and a molecular weight of 393.96 g/mol. Its IUPAC name is 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride.

Molecular Properties

Compound Name3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
PubChem CID68648280
Molecular FormulaC20H32ClN5O
Molecular Weight393.96 g/mol
Exact Mass393.23
IUPAC Name3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
SMILESCCCCCC=Cc1cnc2ccc(NCCCN3CCOCC3)nn12.Cl
InChIInChI=1S/C20H31N5O.ClH/c1-2-3-4-5-6-8-18-17-22-20-10-9-19(23-25(18)20)21-11-7-12-24-13-15-26-16-14-24;/h6,8-10,17H,2-5,7,11-16H2,1H3,(H,21,23);1H
InChIKeyCLEAQDGELIWAHF-UHFFFAOYSA-N
XLogP3.88
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-3-pent-1-enylimidazo[1,2-b]pyridazin-6-amine
CID 68648132
3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine
CID 68648517
tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate
CID 86621015
3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 59519549
N-(3-morpholin-4-ylpropyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 66890283
6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282429
3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133487996
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
2-methyl-N-(3-morpholin-4-ylpropyl)-6-propoxypyrimidin-4-amine
CID 82453993
3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine
CID 25104179
6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
CID 43348273
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]butane-1-sulfonamide
CID 113010893

Frequently Asked Questions

What is the IUPAC name of 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
The IUPAC name of 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride (CID 68648280) is 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride.
What is the SMILES notation for 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
The canonical SMILES for 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride is CCCCCC=Cc1cnc2ccc(NCCCN3CCOCC3)nn12.Cl.
What is the InChIKey of 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
The InChIKey is CLEAQDGELIWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O.ClH/c1-2-3-4-5-6-8-18-17-22-20-10-9-19(23-25(18)20)21-11-7-12-24-13-15-26-16-14-24;/h6,8-10,17H,2-5,7,11-16H2,1H3,(H,21,23);1H.
What are the key properties of 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride is sourced from PubChem (CID 68648280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).