2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine

C26H27N3O — CID 58722068

IUPAC2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine
SMILESCc1cccc(C)c1/N=C1C(=N/CCN2CCOCC2)/c2cccc3cccc/1c23
InChIInChI=1S/C26H27N3O/c1-18-6-3-7-19(2)24(18)28-26-22-11-5-9-20-8-4-10-21(23(20)22)25(26)27-12-13-29-14-16-30-17-15-29/h3-11H,12-17H2,1-2H3/b27-25+,28-26+
InChIKeyMDMWUFUANAZZDC-NBHCHVEOSA-N
MW397.52 g/mol
LogP4.71
Rot. Bonds4

About 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine

2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine (PubChem CID 58722068) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine.

Molecular Properties

Compound Name2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine
PubChem CID58722068
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine
SMILESCc1cccc(C)c1/N=C1C(=N/CCN2CCOCC2)/c2cccc3cccc/1c23
InChIInChI=1S/C26H27N3O/c1-18-6-3-7-19(2)24(18)28-26-22-11-5-9-20-8-4-10-21(23(20)22)25(26)27-12-13-29-14-16-30-17-15-29/h3-11H,12-17H2,1-2H3/b27-25+,28-26+
InChIKeyMDMWUFUANAZZDC-NBHCHVEOSA-N
XLogP4.71
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
4-[2-(2,7-dimethylindol-1-yl)ethyl]morpholine
CID 19366801
bis(3,5-dimethylphenyl)-[2-[[2-(2-methyl-6-propan-2-ylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;bis(3,5-dimethylphenyl)-[2-[[2-(2,4,6-trimethylphenyl)iminoacenaphthylen-1-ylidene]amino]ethyl]phosphanium;bis(dichloroiron)
CID 158673041
N-(3-imidazol-1-ylpropyl)-1-(2-morpholin-4-ylethyl)benzo[cd]indol-2-imine
CID 15023430
1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine;bromonickel;carbanide
CID 20789300
1-(3-morpholin-4-ylpropyl)-3-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea
CID 9411582
4-[2-[3-(2-methylphenyl)-5-(3-methylpyrazin-2-yl)-1,2,4-triazol-1-yl]ethyl]morpholine
CID 154874001
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[2-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride
CID 67442691
1-N,2-N-bis[4-methyl-2,6-di(propan-2-yl)phenyl]acenaphthylene-1,2-diimine
CID 102242944
2-chloro-3-(2-morpholin-4-ylethylimino)naphthalene-1,4-dione
CID 6928252
4-[2-[11,12-dimethyl-4-(2-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]morpholine
CID 20898536

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine?
The IUPAC name of 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine (CID 58722068) is 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine.
What is the SMILES notation for 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine?
The canonical SMILES for 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine is Cc1cccc(C)c1/N=C1C(=N/CCN2CCOCC2)/c2cccc3cccc/1c23.
What is the InChIKey of 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine?
The InChIKey is MDMWUFUANAZZDC-NBHCHVEOSA-N. The full InChI is InChI=1S/C26H27N3O/c1-18-6-3-7-19(2)24(18)28-26-22-11-5-9-20-8-4-10-21(23(20)22)25(26)27-12-13-29-14-16-30-17-15-29/h3-11H,12-17H2,1-2H3/b27-25+,28-26+.
What are the key properties of 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine?
2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine has a molecular weight of 397.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylphenyl)-1-N-(2-morpholin-4-ylethyl)acenaphthylene-1,2-diimine is sourced from PubChem (CID 58722068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).