1-anthracen-9-yl-N-tert-butylmethanimine

C19H19N — CID 12025516

IUPAC1-anthracen-9-yl-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19N/c1-19(2,3)20-13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-13H,1-3H3/b20-13+
InChIKeyZLESDFOPHNEZIC-DEDYPNTBSA-N
MW261.37 g/mol
LogP5.21
Rot. Bonds1

About 1-anthracen-9-yl-N-tert-butylmethanimine

1-anthracen-9-yl-N-tert-butylmethanimine (PubChem CID 12025516) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-tert-butylmethanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-tert-butylmethanimine
PubChem CID12025516
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-anthracen-9-yl-N-tert-butylmethanimine
SMILESCC(C)(C)/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19N/c1-19(2,3)20-13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-13H,1-3H3/b20-13+
InChIKeyZLESDFOPHNEZIC-DEDYPNTBSA-N
XLogP5.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-Diazomethylanthracene
CID 3035201
N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine
CID 361325
1-Naphthalenecarboxaldehyde, 2-(1-naphthalenylmethylene)hydrazone
CID 6861471
Benz[h]isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
CID 10561172
2,2-dimethyl-3-oxido-1H-benzo[f]isoquinolin-3-ium
CID 10775573
N-[(E)-[10-[(E)-(methylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]methanamine
CID 23471426
2-[[10-[2-(dimethylamino)ethyliminomethyl]anthracen-9-yl]methylideneamino]-N,N-dimethylethanamine
CID 44275758
(E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-imine
CID 44457596
9-Anthracenecarboxaldehyde, oxime
CID 86646
9-Anthraldehyde, oxime
CID 5375740
(2-Benzylphenyl)(2-naphthyl)methanimine
CID 418273
N-[(E)-[10-[(E)-(dimethylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-N-methylmethanamine
CID 44365678

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-N-tert-butylmethanimine?
The IUPAC name of 1-anthracen-9-yl-N-tert-butylmethanimine (CID 12025516) is 1-anthracen-9-yl-N-tert-butylmethanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-tert-butylmethanimine?
The canonical SMILES for 1-anthracen-9-yl-N-tert-butylmethanimine is CC(C)(C)/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yl-N-tert-butylmethanimine?
The InChIKey is ZLESDFOPHNEZIC-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N/c1-19(2,3)20-13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-13H,1-3H3/b20-13+.
What are the key properties of 1-anthracen-9-yl-N-tert-butylmethanimine?
1-anthracen-9-yl-N-tert-butylmethanimine has a molecular weight of 261.37 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-N-tert-butylmethanimine is sourced from PubChem (CID 12025516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).