N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine

C24H32N6O3 — CID 134604932

IUPACN-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine
SMILESC=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2ccc(OC)nn2)CC1
InChIInChI=1S/C24H32N6O3/c1-4-26-20-15-18(30-11-13-32-14-12-30)16-21(24(20)25-2)33-19-7-5-17(6-8-19)27-22-9-10-23(31-3)29-28-22/h4,9-10,15-17,19H,2,5-8,11-14H2,1,3H3,(H,27,28)/b26-4+
InChIKeyKFVOQOPXXNNJJL-APJQVKJYSA-N
MW452.56 g/mol
LogP4.18
Rot. Bonds8

About N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine

N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine (PubChem CID 134604932) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine.

Molecular Properties

Compound NameN-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine
PubChem CID134604932
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC NameN-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine
SMILESC=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2ccc(OC)nn2)CC1
InChIInChI=1S/C24H32N6O3/c1-4-26-20-15-18(30-11-13-32-14-12-30)16-21(24(20)25-2)33-19-7-5-17(6-8-19)27-22-9-10-23(31-3)29-28-22/h4,9-10,15-17,19H,2,5-8,11-14H2,1,3H3,(H,27,28)/b26-4+
InChIKeyKFVOQOPXXNNJJL-APJQVKJYSA-N
XLogP4.18
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5,6-dimethylpyrazin-2-amine
CID 134566397
methyl 2-[[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]amino]pyridine-4-carboxylate
CID 139426788
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-5-propan-2-ylpyrimidin-2-amine
CID 139426738
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridazine-3-carbonitrile
CID 86280904
3-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335616
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335607
2-N,2-N-dimethyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335685
6-[2-(dimethylamino)ethoxy]-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine
CID 121335601
2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
CID 121335604
6-[[8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxy]-N-[4-[(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)oxy]cyclohexyl]pyridazin-3-amine
CID 176919250
1-methyl-8-[4-[(2-methylpyrimidin-4-yl)amino]cyclohexyl]oxy-6-morpholin-4-ylquinoxalin-2-one
CID 139342847

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine?
The IUPAC name of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine (CID 134604932) is N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine.
What is the SMILES notation for N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine?
The canonical SMILES for N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine is C=Nc1c(/N=C/C)cc(N2CCOCC2)cc1OC1CCC(Nc2ccc(OC)nn2)CC1.
What is the InChIKey of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine?
The InChIKey is KFVOQOPXXNNJJL-APJQVKJYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-4-26-20-15-18(30-11-13-32-14-12-30)16-21(24(20)25-2)33-19-7-5-17(6-8-19)27-22-9-10-23(31-3)29-28-22/h4,9-10,15-17,19H,2,5-8,11-14H2,1,3H3,(H,27,28)/b26-4+.
What are the key properties of N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine?
N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine has a molecular weight of 452.56 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(ethylideneamino)-2-(methylideneamino)-5-morpholin-4-ylphenoxy]cyclohexyl]-6-methoxypyridazin-3-amine is sourced from PubChem (CID 134604932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).